data_2ru3_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 2ru3 _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 ' 34' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.8 p -141.38 -20.05 0.77 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -99.33 128.18 45.42 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.101 1.36 . . . . 0.0 110.451 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.0 mt -125.41 119.63 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.514 1.526 . . . . 0.0 109.803 -168.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -81.56 137.07 35.58 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 167.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -134.83 92.27 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 123.961 0.904 . . . . 0.0 109.45 -176.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.53 -175.26 31.18 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.389 0.519 . . . . 0.0 113.375 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.09 17.52 71.96 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.347 0.975 . . . . 0.0 114.24 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.25 151.28 92.22 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 125.118 1.367 . . . . 0.0 110.64 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.22 141.9 36.69 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 121.958 1.772 . . . . 0.0 108.47 168.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -62.87 -11.77 20.49 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.948 1.833 . . . . 0.0 115.948 -168.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -87.39 -3.1 59.01 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -66.73 133.97 51.27 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.018 1.327 . . . . 0.0 109.97 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.2 m -110.71 169.49 8.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.387 1.075 . . . . 0.0 111.816 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -56.11 -37.1 68.95 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.32 1.048 . . . . 0.0 112.92 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -71.85 -36.97 70.32 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 173.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.2 m -59.84 -42.04 92.71 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.079 1.352 . . . . 0.0 110.434 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.0 tp -73.19 -40.46 64.75 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.82 0.848 . . . . 0.0 112.441 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.36 -37.26 82.71 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.61 -0.682 . . . . 0.0 111.971 174.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -72.91 -13.29 61.23 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.927 1.291 . . . . 0.0 112.848 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -95.16 -40.72 9.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.913 0.779 . . . . 0.0 112.615 171.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -75.47 -14.11 60.41 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -7.24 37.76 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -76.95 -19.05 57.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.844 0.857 . . . . 0.0 113.032 170.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -93.44 -13.12 28.33 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.377 1.071 . . . . 0.0 113.08 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.55 -147.22 19.11 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 125.224 1.392 . . . . 0.0 112.856 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -87.55 121.5 30.07 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.888 0.875 . . . . 0.0 112.522 -169.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.6 mt -92.14 129.25 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.496 1.118 . . . . 0.0 109.898 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -83.27 -44.83 14.51 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.852 1.661 . . . . 0.0 110.454 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -164.15 151.05 11.61 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.398 1.879 . . . . 0.0 109.696 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.13 146.46 32.78 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.941 1.296 . . . . 0.0 111.099 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.9 m -151.99 160.8 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.988 1.715 . . . . 0.0 111.536 -174.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.5 t -130.06 134.57 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.434 1.494 . . . . 0.0 107.932 169.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 36.3 mm -80.89 111.42 17.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 C-N-CA 123.598 0.759 . . . . 0.0 111.38 -169.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.466 0.367 0 C-N-CA 126.989 2.116 . . . . 0.0 108.907 171.852 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 110.793 -0.077 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 -82.82 -0.12 46.52 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.16 4.76 83.78 Favored Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.893 1.235 . . . . 0.0 114.194 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -143.21 160.68 40.0 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.76 -169.92 12.21 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 127.289 2.376 . . . . 0.0 112.371 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -137.11 150.1 47.77 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.465 1.506 . . . . 0.0 111.259 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.48 132.55 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.43 1.492 . . . . 0.0 108.402 172.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.6 m -113.98 133.03 55.75 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 172.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.0 mmm -103.24 148.17 26.14 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.502 1.121 . . . . 0.0 110.824 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -70.17 -16.03 63.03 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -154.89 152.01 29.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.247 1.419 . . . . 0.0 111.55 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 53.3 mtt85 -55.68 -33.01 63.75 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.21 1.404 . . . . 0.0 112.231 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.59 -18.66 64.37 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.539 1.136 . . . . 0.0 113.818 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.2 m -91.47 -29.91 16.76 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.039 -1.038 . . . . 0.0 112.169 171.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.87 -34.37 60.02 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.122 -0.986 . . . . 0.0 113.266 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.38 -38.15 90.04 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.626 0.648 . . . . 0.0 112.458 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -67.82 -26.97 66.33 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.667 1.187 . . . . 0.0 112.592 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.44 -51.0 11.51 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.784 0.834 . . . . 0.0 111.75 173.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.5 p -67.35 -19.21 65.41 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -64.33 -13.92 53.13 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 170.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -122.04 92.89 48.81 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 124.848 1.259 . . . . 0.0 109.695 169.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -75.98 -22.1 13.46 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.338 2.692 . . . . 0.0 113.146 -173.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -132.97 75.08 72.91 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.501 1.12 . . . . 0.0 112.003 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -81.1 -12.84 11.64 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 124.291 3.327 . . . . 0.0 116.191 -172.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 65.08 56.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 125.836 1.655 . . . . 0.0 111.401 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.66 119.2 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.104 -0.998 . . . . 0.0 110.276 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.48 19.07 6.19 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.641 1.976 . . . . 0.0 114.704 175.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.21 34.88 4.66 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.969 1.271 . . . . 0.0 115.515 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -152.66 142.27 21.84 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 118.755 1.277 . . . . 0.0 110.49 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -65.77 99.54 0.47 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.82 0.819 . . . . 0.0 112.072 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.94 169.09 18.75 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.739 1.216 . . . . 0.0 111.437 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -139.6 96.32 3.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.352 1.861 . . . . 0.0 108.815 -172.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 80.2 t -100.51 124.7 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.279 1.432 . . . . 0.0 109.354 -172.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -156.9 149.85 23.79 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.74 0.816 . . . . 0.0 113.0 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.8 mt -64.43 118.76 9.22 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.693 0.797 . . . . 0.0 108.918 170.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 1.177 0 N-CA-C 117.449 2.388 . . . . 0.0 117.449 -169.339 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.2 p -140.28 -23.17 0.82 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.75 125.69 35.39 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.659 1.184 . . . . 0.0 110.712 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.1 mt -121.5 120.52 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 126.139 1.776 . . . . 0.0 108.724 -170.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -80.55 137.7 36.43 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.136 1.374 . . . . 0.0 108.723 169.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.6 t -137.98 93.75 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.063 0.945 . . . . 0.0 109.633 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.2 -175.42 25.36 Favored Glycine 0 N--CA 1.47 0.921 0 C-N-CA 123.212 0.434 . . . . 0.0 113.612 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.71 17.36 73.0 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 123.96 0.79 . . . . 0.0 113.604 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.07 146.6 90.16 Favored Pre-proline 0 CA--C 1.541 0.628 0 C-N-CA 124.87 1.268 . . . . 0.0 110.344 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.14 142.81 42.76 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.23 1.953 . . . . 0.0 109.023 169.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -62.41 -11.98 18.89 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 -169.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -89.75 -0.66 57.68 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.446 1.498 . . . . 0.0 114.807 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.5 m -67.84 137.54 55.4 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.166 1.387 . . . . 0.0 109.734 173.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.0 p -111.56 169.43 8.82 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.965 0.906 . . . . 0.0 112.308 171.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -58.72 -29.38 66.65 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.37 -0.831 . . . . 0.0 112.702 171.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -72.0 -45.85 59.42 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.888 0.875 . . . . 0.0 111.268 171.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.2 m -56.0 -44.43 78.62 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.814 1.246 . . . . 0.0 110.939 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.8 tp -73.7 -39.51 64.3 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.736 0.815 . . . . 0.0 112.577 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -60.38 -38.93 85.47 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.551 -0.718 . . . . 0.0 111.463 172.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -71.91 -16.03 62.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.299 1.04 . . . . 0.0 113.253 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -87.39 -42.25 12.98 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.252 0.933 . . . . 0.0 112.101 169.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -79.6 -17.56 53.6 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -174.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -8.28 45.44 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -72.0 -20.08 61.77 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.565 0.746 . . . . 0.0 112.791 170.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -92.82 -13.6 28.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.871 1.268 . . . . 0.0 112.848 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.94 -166.43 24.35 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.697 1.618 . . . . 0.0 112.659 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.39 136.78 56.93 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.882 1.273 . . . . 0.0 113.829 -174.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.9 mt -109.96 130.92 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.919 1.688 . . . . 0.0 109.711 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -72.53 -49.21 34.39 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.033 1.333 . . . . 0.0 110.964 170.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -166.14 147.82 6.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.675 1.99 . . . . 0.0 109.268 -173.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.32 148.89 46.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.37 1.468 . . . . 0.0 110.229 174.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.5 m -149.35 158.21 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.368 1.467 . . . . 0.0 111.097 -177.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 80.9 t -128.21 138.28 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.527 1.531 . . . . 0.0 107.175 168.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.1 mm -85.26 92.94 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 C-N-CA 124.07 0.948 . . . . 0.0 108.934 -171.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.471 0.602 0 C-N-CA 129.971 3.308 . . . . 0.0 108.2 -179.833 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.4 mtt85 -93.16 1.37 57.17 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.309 1.444 . . . . 0.0 113.096 172.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.15 10.91 70.64 Favored Glycine 0 N--CA 1.474 1.231 0 C-N-CA 124.895 1.236 . . . . 0.0 114.664 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -150.75 168.67 23.7 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -154.63 -171.56 21.58 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 127.767 2.603 . . . . 0.0 112.493 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -139.05 150.68 46.04 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.817 1.647 . . . . 0.0 111.099 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.51 132.14 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.307 1.443 . . . . 0.0 108.468 171.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.1 m -115.26 128.12 55.93 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.643 0.777 . . . . 0.0 109.008 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 74.7 mmm -94.51 145.19 24.97 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.472 1.109 . . . . 0.0 110.993 -175.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -66.65 -24.72 66.33 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -138.97 149.37 44.65 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.51 1.124 . . . . 0.0 112.681 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -59.1 -32.69 70.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.711 1.205 . . . . 0.0 112.314 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.32 90.6 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.09 0.859 . . . . 0.0 112.119 175.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 m -69.33 -31.05 69.26 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.184 -0.947 . . . . 0.0 112.396 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.37 -38.74 63.1 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.489 -0.757 . . . . 0.0 112.704 172.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -61.22 -39.69 91.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.57 0.748 . . . . 0.0 111.5 171.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -65.91 -32.43 73.93 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.937 0.895 . . . . 0.0 112.602 173.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.2 -33.17 59.28 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.6 p -76.66 -5.2 46.9 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.09 -25.63 67.81 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -124.38 108.18 29.47 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.246 1.418 . . . . 0.0 109.615 172.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -79.21 -14.61 13.22 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.073 2.515 . . . . 0.0 113.209 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -138.14 72.79 45.77 Favored Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 124.901 1.28 . . . . 0.0 111.362 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.04 -10.16 15.28 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 124.369 3.38 . . . . 0.0 116.385 -169.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.3 mm 65.43 55.59 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 125.442 1.497 . . . . 0.0 111.285 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.7 mt -67.24 120.65 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.437 1.095 . . . . 0.0 110.365 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.66 22.87 8.77 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.755 2.022 . . . . 0.0 114.223 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.6 26.44 9.91 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.693 1.14 . . . . 0.0 115.46 172.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -148.4 138.28 22.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.047 1.424 . . . . 0.0 110.382 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.85 104.64 0.71 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.605 0.762 . . . . 0.0 112.612 -173.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.12 171.76 13.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.56 1.144 . . . . 0.0 111.325 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -136.55 112.77 9.82 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.382 1.873 . . . . 0.0 108.808 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 84.2 t -115.13 127.56 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.517 1.527 . . . . 0.0 110.27 -171.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -165.85 155.49 12.25 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.594 1.158 . . . . 0.0 113.014 171.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.3 mt -53.78 137.05 39.0 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 167.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.283 0 N-CA-C 116.631 2.085 . . . . 0.0 116.631 -169.58 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 CA--C 1.543 0.703 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.4 p -143.31 -25.31 0.59 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.393 1.477 . . . . 0.0 114.192 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -84.9 123.74 30.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.705 1.202 . . . . 0.0 110.333 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 22.4 mt -122.52 120.35 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 126.159 1.783 . . . . 0.0 108.881 -171.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -84.3 134.48 34.51 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.087 1.355 . . . . 0.0 107.772 168.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.6 t -135.88 92.68 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.919 0.888 . . . . 0.0 109.394 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.29 -175.42 24.27 Favored Glycine 0 N--CA 1.468 0.773 0 C-N-CA 123.239 0.447 . . . . 0.0 113.757 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.4 24.1 76.99 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 123.438 0.542 . . . . 0.0 113.393 -172.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.6 mt -78.99 152.41 76.95 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 125.181 1.392 . . . . 0.0 109.837 171.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -76.08 154.9 37.84 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.277 1.985 . . . . 0.0 109.847 169.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -68.34 -5.14 17.17 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -172.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -97.54 -3.77 39.11 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.6 m -68.72 142.49 54.98 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.291 1.437 . . . . 0.0 110.571 176.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -116.76 169.66 9.2 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.471 1.109 . . . . 0.0 112.524 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -57.46 -41.69 81.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.746 1.219 . . . . 0.0 112.61 -175.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -71.58 -34.39 69.9 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.525 0.73 . . . . 0.0 112.765 175.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.1 m -57.18 -39.14 74.75 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.585 1.154 . . . . 0.0 110.96 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.0 tp -77.29 -40.01 45.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.652 0.781 . . . . 0.0 112.809 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.44 -39.59 80.26 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.693 -0.63 . . . . 0.0 111.777 173.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -74.43 -11.71 60.31 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.426 1.49 . . . . 0.0 112.932 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -92.76 -42.42 9.59 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.082 0.855 . . . . 0.0 112.028 169.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -77.29 -15.61 59.35 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -6.4 30.58 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 178.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -74.9 -19.4 60.16 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.491 -0.755 . . . . 0.0 112.79 169.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -94.0 -15.31 24.98 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.679 1.191 . . . . 0.0 113.081 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.23 -145.68 15.77 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 124.876 1.226 . . . . 0.0 112.773 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -93.17 134.87 34.9 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.285 1.034 . . . . 0.0 112.558 -169.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -111.25 128.95 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.179 1.392 . . . . 0.0 110.243 -175.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -71.75 -49.39 39.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.902 1.281 . . . . 0.0 111.041 169.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -165.59 147.59 7.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.71 2.004 . . . . 0.0 108.902 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.35 143.37 29.05 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.015 1.326 . . . . 0.0 110.659 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.9 m -150.85 159.68 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.244 1.418 . . . . 0.0 111.615 -171.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.7 t -125.35 131.06 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.952 1.701 . . . . 0.0 108.011 169.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.9 mm -76.73 116.92 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.954 0.902 . . . . 0.0 111.025 -169.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.469 0.48 0 C-N-CA 127.078 2.151 . . . . 0.0 109.008 175.29 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 121.51 0.671 . . . . 0.0 112.395 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -89.02 -2.75 58.73 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.416 1.486 . . . . 0.0 113.767 173.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.82 14.22 80.0 Favored Glycine 0 N--CA 1.474 1.169 0 C-N-CA 123.955 0.788 . . . . 0.0 114.045 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -150.45 163.16 39.09 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.109 1.364 . . . . 0.0 113.644 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.08 -175.34 14.69 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 126.661 2.077 . . . . 0.0 112.955 174.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -130.46 147.35 52.15 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 125.948 1.699 . . . . 0.0 110.623 174.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.8 t -137.44 130.23 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.659 1.584 . . . . 0.0 108.19 174.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -117.45 126.27 52.34 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.559 0.744 . . . . 0.0 109.048 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 76.8 mmm -94.16 145.45 24.69 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.467 1.107 . . . . 0.0 111.313 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -67.86 -21.02 65.19 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -150.07 151.09 32.67 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.367 1.467 . . . . 0.0 110.925 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -55.5 -32.14 62.61 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.56 1.144 . . . . 0.0 112.069 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.55 -22.67 66.15 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.0 m -85.48 -29.26 24.43 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.422 -0.798 . . . . 0.0 112.001 173.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.12 -37.94 57.44 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.109 -0.994 . . . . 0.0 112.488 173.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.33 -30.71 69.7 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.238 1.015 . . . . 0.0 112.172 171.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -75.07 -26.92 59.71 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 173.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.5 -25.35 45.63 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.5 p -77.31 -2.85 36.94 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -64.27 -24.93 67.83 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.165 1.386 . . . . 0.0 114.69 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -129.64 107.15 17.11 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.036 1.335 . . . . 0.0 110.156 171.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.84 -18.0 11.92 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.198 2.599 . . . . 0.0 112.971 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -134.57 68.34 72.22 Favored Pre-proline 0 CA--C 1.554 1.12 0 C-N-CA 125.388 1.475 . . . . 0.0 111.653 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.52 -8.98 16.14 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 124.474 3.449 . . . . 0.0 116.93 -169.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 63.79 56.92 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 125.625 1.57 . . . . 0.0 111.178 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.0 mt -72.74 123.53 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.022 -1.049 . . . . 0.0 109.359 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t0 65.38 12.89 8.45 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.96 1.704 . . . . 0.0 113.857 172.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.41 39.22 4.27 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.458 1.504 . . . . 0.0 114.918 175.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -155.09 141.53 18.71 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.024 1.329 . . . . 0.0 109.069 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -64.42 101.53 0.45 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.3 0.571 . . . . 0.0 111.662 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.35 175.2 10.47 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.45 1.1 . . . . 0.0 111.184 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -150.04 99.22 2.8 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.962 1.705 . . . . 0.0 108.468 -171.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.4 t -106.84 124.37 62.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.447 1.499 . . . . 0.0 110.007 -169.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -163.25 155.23 17.81 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.258 1.023 . . . . 0.0 113.334 175.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.4 mt -54.93 144.83 21.75 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.629 0.772 . . . . 0.0 109.678 169.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.342 0 N-CA-C 116.482 2.031 . . . . 0.0 116.482 -171.913 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 . . . . . 0 CA--C 1.543 0.698 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.0 p -135.64 -25.06 1.31 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.173 1.389 . . . . 0.0 113.81 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -89.46 130.6 35.78 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.864 1.666 . . . . 0.0 110.879 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.9 mt -128.49 118.75 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 126.461 1.904 . . . . 0.0 108.706 -170.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -84.03 134.4 34.63 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.711 1.204 . . . . 0.0 107.883 168.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.8 t -135.95 92.9 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.873 0.869 . . . . 0.0 109.685 -173.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.99 -175.02 25.57 Favored Glycine 0 N--CA 1.47 0.907 0 C-N-CA 123.393 0.52 . . . . 0.0 114.002 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.71 15.0 73.18 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 123.808 0.718 . . . . 0.0 113.908 -174.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 98.2 mt -70.92 145.86 92.29 Favored Pre-proline 0 C--O 1.241 0.619 0 C-N-CA 124.923 1.289 . . . . 0.0 110.149 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.07 143.24 35.73 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.233 1.956 . . . . 0.0 108.991 169.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -60.3 -17.12 40.39 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -82.58 -3.01 55.39 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.8 m -67.66 126.52 29.64 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.921 1.288 . . . . 0.0 109.575 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.6 p -94.64 166.64 11.92 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.999 0.904 . . . . 0.0 112.571 173.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -53.87 -36.73 62.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.002 1.321 . . . . 0.0 111.937 173.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -82.29 -29.79 30.95 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.241 1.016 . . . . 0.0 112.809 177.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -62.36 -43.24 99.28 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.869 0.868 . . . . 0.0 110.139 173.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.49 -39.94 81.12 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.137 0.575 . . . . 0.0 112.28 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -58.76 -38.83 79.32 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.716 -0.615 . . . . 0.0 111.711 173.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -75.75 -10.66 59.62 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.747 1.219 . . . . 0.0 113.519 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -92.14 -41.13 10.64 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.224 0.92 . . . . 0.0 111.93 168.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -78.86 -14.11 59.42 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -174.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -8.65 49.33 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -73.99 -18.26 60.88 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.858 0.863 . . . . 0.0 112.938 170.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -94.64 -10.75 30.89 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.698 1.199 . . . . 0.0 113.16 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.66 -160.54 23.82 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.631 1.586 . . . . 0.0 112.73 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -72.28 125.01 26.27 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.593 1.157 . . . . 0.0 112.757 -172.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.8 mt -92.61 127.07 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.54 1.136 . . . . 0.0 109.858 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -85.07 -34.87 22.15 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.232 1.813 . . . . 0.0 111.663 176.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -164.81 147.7 8.54 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.864 2.066 . . . . 0.0 108.903 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.81 133.82 15.98 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.213 1.005 . . . . 0.0 110.536 172.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.2 m -151.11 158.92 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.272 1.429 . . . . 0.0 111.633 -172.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.0 t -121.95 133.46 68.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.093 1.757 . . . . 0.0 108.219 170.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.408 HG13 ' CE2' ' A' ' 78' ' ' TYR . 36.9 mm -75.75 127.92 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.634 0.774 . . . . 0.0 110.479 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.469 0.499 0 C-N-CA 126.635 1.974 . . . . 0.0 109.816 -177.197 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -90.96 -2.9 57.66 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.16 3.5 87.35 Favored Glycine 0 N--CA 1.475 1.268 0 C-N-CA 124.739 1.161 . . . . 0.0 114.331 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.408 ' CE2' HG13 ' A' ' 67' ' ' ILE . 15.2 p90 -149.4 163.46 37.7 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.257 1.423 . . . . 0.0 113.897 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.53 -173.79 13.6 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 126.649 2.071 . . . . 0.0 112.873 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -130.11 145.61 51.71 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 125.983 1.713 . . . . 0.0 110.624 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -135.89 136.62 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.432 1.493 . . . . 0.0 108.306 173.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -124.62 134.9 52.77 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.805 1.242 . . . . 0.0 108.291 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 87.4 mmm -106.88 139.82 40.68 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.452 1.101 . . . . 0.0 110.952 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -66.26 -19.3 65.78 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -175.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -137.41 149.37 46.87 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.33 1.452 . . . . 0.0 111.349 172.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.07 -39.77 69.64 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.369 1.068 . . . . 0.0 112.246 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.4 -25.4 65.03 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.565 -0.709 . . . . 0.0 112.573 -176.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.1 m -75.4 -29.57 59.83 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.151 -0.968 . . . . 0.0 112.254 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.46 -35.4 60.89 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.316 -0.865 . . . . 0.0 111.893 169.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.33 -42.91 96.63 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.224 0.609 . . . . 0.0 111.336 169.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -63.68 -34.37 77.7 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.748 0.819 . . . . 0.0 112.736 172.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.7 -35.1 67.56 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.6 p -77.13 -4.84 46.55 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -62.31 -26.15 68.26 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -124.98 107.22 28.42 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 125.337 1.455 . . . . 0.0 109.839 173.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.44 -15.54 13.97 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 123.056 2.504 . . . . 0.0 113.188 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -135.54 72.5 64.0 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.912 1.285 . . . . 0.0 112.111 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.43 -11.83 14.25 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 124.33 3.354 . . . . 0.0 116.491 -171.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.9 mm 63.96 56.54 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 125.678 1.591 . . . . 0.0 111.297 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.3 mt -69.23 118.15 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 121.035 -1.041 . . . . 0.0 110.062 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.48 21.75 8.85 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.543 1.937 . . . . 0.0 114.641 175.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.84 32.72 5.53 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.749 1.166 . . . . 0.0 115.787 171.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -152.42 141.98 21.76 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 118.738 1.269 . . . . 0.0 109.936 171.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.32 101.62 0.45 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.595 0.712 . . . . 0.0 111.971 -177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.69 166.97 22.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.491 1.116 . . . . 0.0 111.012 175.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -135.99 102.56 5.08 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.189 1.796 . . . . 0.0 108.223 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.6 t -107.62 125.86 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.378 1.471 . . . . 0.0 110.039 -170.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -163.89 155.7 16.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.328 1.051 . . . . 0.0 113.162 174.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -54.27 141.24 30.43 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.438 0.695 . . . . 0.0 109.4 168.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.363 0 N-CA-C 116.305 1.965 . . . . 0.0 116.305 -174.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 CA--C 1.544 0.737 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.9 p -134.51 -27.31 1.35 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.444 1.498 . . . . 0.0 113.59 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HE2' ' CE1' ' A' ' 80' ' ' PHE . 88.4 tttt -88.51 130.11 35.3 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.982 1.713 . . . . 0.0 110.704 176.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 mt -127.19 119.79 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 126.25 1.82 . . . . 0.0 108.797 -170.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -83.87 137.32 33.74 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.88 1.272 . . . . 0.0 108.189 168.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.7 t -136.71 92.88 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.971 0.909 . . . . 0.0 109.609 -176.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.1 -174.72 26.47 Favored Glycine 0 N--CA 1.469 0.877 0 C-N-CA 123.136 0.398 . . . . 0.0 113.604 176.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.17 16.44 75.14 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 123.767 0.699 . . . . 0.0 114.182 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -74.33 150.42 87.29 Favored Pre-proline 0 C--O 1.241 0.623 0 C-N-CA 125.44 1.496 . . . . 0.0 110.44 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.21 152.22 44.7 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.302 2.001 . . . . 0.0 109.494 169.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -66.87 -9.01 33.21 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 -171.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -93.33 -4.14 52.18 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m -67.81 140.22 56.62 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.006 1.322 . . . . 0.0 110.265 175.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.1 m -115.8 168.91 9.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.42 1.088 . . . . 0.0 112.187 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -57.15 -36.18 70.42 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.402 1.081 . . . . 0.0 113.149 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -70.37 -39.91 74.33 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.285 0.634 . . . . 0.0 111.83 173.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -59.08 -43.36 91.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.2 1.4 . . . . 0.0 110.692 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.5 tp -74.45 -37.35 63.29 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -59.07 -41.16 87.29 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.592 0.633 . . . . 0.0 111.413 173.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -66.4 -34.03 77.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.003 0.921 . . . . 0.0 112.74 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -72.26 -30.33 64.74 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.367 -0.833 . . . . 0.0 113.126 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -86.43 -7.21 58.62 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -173.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -65.92 -18.99 65.71 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.373 0.988 . . . . 0.0 113.035 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -72.41 -15.68 61.84 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.359 1.063 . . . . 0.0 113.55 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -98.61 -12.82 20.75 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.466 1.106 . . . . 0.0 113.17 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.7 -156.96 22.36 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.509 1.528 . . . . 0.0 113.06 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -75.31 126.98 32.12 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.059 1.344 . . . . 0.0 112.687 -172.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.5 mt -99.9 126.94 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.933 1.293 . . . . 0.0 109.592 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -81.62 -44.37 17.31 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.933 1.693 . . . . 0.0 110.597 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -164.94 151.97 10.9 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.538 1.935 . . . . 0.0 109.318 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.7 143.88 26.74 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.769 1.228 . . . . 0.0 110.884 175.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 m -151.63 157.48 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.784 1.633 . . . . 0.0 111.317 -173.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.2 t -126.51 132.86 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.219 1.407 . . . . 0.0 107.519 169.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.9 mm -80.19 109.83 15.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 123.782 0.833 . . . . 0.0 111.026 -169.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.469 0.478 0 C-N-CA 126.999 2.12 . . . . 0.0 109.451 177.372 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 120.82 0.343 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -90.5 3.62 53.43 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 170.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.0 14.91 68.42 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 124.257 0.932 . . . . 0.0 114.321 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -149.94 163.09 39.0 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.099 1.36 . . . . 0.0 114.094 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.58 -172.15 14.95 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 127.053 2.263 . . . . 0.0 112.794 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.416 ' CE1' ' HE2' ' A' ' 36' ' ' LYS . 25.1 m-85 -133.97 149.73 51.24 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.817 1.647 . . . . 0.0 111.023 175.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.4 t -136.77 136.27 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.814 1.645 . . . . 0.0 108.178 172.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.8 m -121.71 135.47 54.95 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.168 0.987 . . . . 0.0 108.57 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 87.8 mmm -106.3 146.2 30.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.498 1.119 . . . . 0.0 111.257 -174.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -71.61 -14.52 62.09 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -140.96 151.21 44.0 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.306 1.443 . . . . 0.0 110.904 170.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -49.27 -47.32 46.8 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.052 0.941 . . . . 0.0 112.457 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.37 -24.41 65.69 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.723 -0.61 . . . . 0.0 112.352 -171.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.6 m -75.44 -29.63 59.74 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.143 -0.973 . . . . 0.0 112.77 174.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.17 -34.7 49.53 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.153 -0.967 . . . . 0.0 111.879 169.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -63.59 -37.34 86.97 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.214 1.006 . . . . 0.0 111.413 172.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -66.43 -33.25 75.3 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.338 1.055 . . . . 0.0 112.936 170.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.63 64.26 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.6 p -74.91 -6.05 47.07 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.69 -27.34 69.15 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -120.76 104.49 42.02 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 125.163 1.385 . . . . 0.0 109.477 170.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.34 -18.59 12.36 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.927 2.418 . . . . 0.0 113.035 -178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -131.15 69.71 82.31 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 124.605 1.162 . . . . 0.0 112.245 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -80.2 -9.72 13.89 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 124.479 3.452 . . . . 0.0 116.596 -171.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.7 mm 64.11 55.94 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.696 1.598 . . . . 0.0 111.138 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.1 mt -71.59 124.71 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.049 -1.032 . . . . 0.0 109.456 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.6 t0 64.85 13.72 8.72 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.872 1.669 . . . . 0.0 113.728 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.91 36.85 5.39 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.371 1.463 . . . . 0.0 115.061 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.2 ttt85 -153.05 143.69 22.72 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.461 1.131 . . . . 0.0 109.534 170.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -62.86 101.5 0.27 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.544 0.688 . . . . 0.0 111.739 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.42 174.48 11.52 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.587 1.155 . . . . 0.0 111.24 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -145.8 94.32 2.47 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.013 1.725 . . . . 0.0 108.622 -173.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 99.3 t -102.7 125.05 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.954 1.702 . . . . 0.0 109.626 -171.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -163.25 155.06 17.62 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.182 0.993 . . . . 0.0 113.095 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -54.2 141.16 30.27 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.383 0.673 . . . . 0.0 109.487 168.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.334 0 N-CA-C 116.557 2.058 . . . . 0.0 116.557 -171.188 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.1 p -135.18 -23.09 1.52 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.921 1.288 . . . . 0.0 113.974 -176.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -89.2 128.29 35.8 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.273 1.429 . . . . 0.0 110.765 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.0 mt -126.4 118.75 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.993 1.717 . . . . 0.0 108.825 -169.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -79.62 138.55 37.46 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.705 1.202 . . . . 0.0 108.785 169.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.2 t -137.68 94.5 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.781 0.832 . . . . 0.0 109.186 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.61 -176.08 28.42 Favored Glycine 0 N--CA 1.468 0.779 0 C-N-CA 122.966 0.317 . . . . 0.0 112.87 174.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.01 17.87 72.18 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 123.354 0.502 . . . . 0.0 113.521 -173.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.3 mt -74.59 141.52 76.34 Favored Pre-proline 0 C--O 1.239 0.552 0 C-N-CA 124.265 1.026 . . . . 0.0 109.205 173.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.7 146.53 67.06 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 121.968 1.779 . . . . 0.0 109.187 170.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -61.63 -13.79 25.27 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 -171.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -90.76 -5.55 55.54 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 115.105 1.521 . . . . 0.0 115.105 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.2 m -67.21 130.92 44.64 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.613 1.165 . . . . 0.0 109.323 169.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.2 m -105.51 171.01 7.56 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.31 1.044 . . . . 0.0 111.796 175.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -58.1 -34.95 70.74 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.104 -0.997 . . . . 0.0 112.882 176.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -72.35 -36.85 68.9 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 173.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.6 m -60.43 -42.76 96.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.21 1.404 . . . . 0.0 110.278 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.4 tp -73.2 -39.54 65.48 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.676 0.791 . . . . 0.0 112.59 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -59.42 -40.59 87.19 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.536 0.607 . . . . 0.0 111.451 173.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -67.0 -31.38 71.9 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.178 0.991 . . . . 0.0 112.567 -175.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -74.36 -32.13 62.66 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.27 -0.894 . . . . 0.0 113.112 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -84.43 -6.94 59.43 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -173.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -66.4 -17.11 64.59 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.496 1.044 . . . . 0.0 113.234 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -74.32 -15.47 60.95 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.565 1.146 . . . . 0.0 113.341 177.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -97.94 -13.23 21.28 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.419 1.088 . . . . 0.0 113.36 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.41 -145.32 17.41 Favored Glycine 0 C--N 1.339 0.726 0 C-N-CA 124.251 0.929 . . . . 0.0 113.346 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -88.24 119.81 29.01 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.174 0.99 . . . . 0.0 111.844 -170.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 52.1 mt -91.75 130.4 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.378 1.071 . . . . 0.0 109.273 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -89.93 -37.87 14.07 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.609 1.564 . . . . 0.0 111.648 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -166.42 152.91 8.98 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.314 1.846 . . . . 0.0 109.378 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.45 143.27 24.66 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.583 1.153 . . . . 0.0 110.77 174.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.7 m -151.45 158.9 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.627 1.571 . . . . 0.0 111.454 -173.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.45 133.55 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.796 1.638 . . . . 0.0 107.433 169.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.6 mm -81.7 124.82 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.628 0.771 . . . . 0.0 112.17 -168.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.47 0.537 0 C-N-CA 127.119 2.168 . . . . 0.0 110.432 -175.169 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -82.03 0.65 39.38 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.62 8.53 80.13 Favored Glycine 0 N--CA 1.475 1.239 0 C-N-CA 124.543 1.068 . . . . 0.0 114.194 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -148.02 164.32 34.16 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.822 1.249 . . . . 0.0 113.868 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.19 -169.93 15.05 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 127.081 2.277 . . . . 0.0 112.637 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -134.17 150.65 51.1 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.753 1.621 . . . . 0.0 110.873 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.2 t -134.25 132.88 55.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.715 1.606 . . . . 0.0 108.085 170.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.6 m -114.95 132.51 56.54 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.8 mmm -101.44 144.53 30.12 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.347 1.059 . . . . 0.0 110.407 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -64.45 -17.55 63.92 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -153.16 150.32 28.94 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.037 1.335 . . . . 0.0 111.946 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -57.48 -31.97 66.52 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.211 1.004 . . . . 0.0 112.669 177.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.39 -23.49 65.58 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.9 m -86.48 -35.01 19.88 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.467 -0.77 . . . . 0.0 111.686 174.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.74 -37.43 76.47 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.141 -0.974 . . . . 0.0 112.722 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -55.39 -44.18 75.86 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 124.11 0.964 . . . . 0.0 111.827 169.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -66.57 -36.35 82.44 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.65 0.659 . . . . 0.0 112.411 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.51 -35.49 73.23 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.2 p -76.74 -10.09 59.13 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -70.55 -25.73 63.23 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -176.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -110.69 103.31 54.22 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 124.838 1.255 . . . . 0.0 109.827 170.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.0 -15.82 12.87 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.028 2.485 . . . . 0.0 113.076 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -137.67 75.66 43.27 Favored Pre-proline 0 CA--C 1.551 1.006 0 C-N-CA 124.525 1.13 . . . . 0.0 112.438 -173.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -80.13 -13.38 12.65 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.128 3.219 . . . . 0.0 116.154 -173.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.1 mm 63.5 57.37 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 125.652 1.581 . . . . 0.0 111.269 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.3 mt -71.69 119.83 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.21 1.004 . . . . 0.0 110.019 -174.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.1 24.43 12.75 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.507 1.923 . . . . 0.0 113.997 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.53 30.69 7.93 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.55 1.071 . . . . 0.0 115.697 170.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -153.13 140.11 19.21 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.107 1.363 . . . . 0.0 109.013 174.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -64.45 103.36 0.65 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.321 0.581 . . . . 0.0 112.271 -176.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.67 162.17 28.47 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.94 0.896 . . . . 0.0 110.266 169.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -134.79 99.45 4.32 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.847 1.659 . . . . 0.0 107.482 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.9 t -103.88 128.59 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.939 1.696 . . . . 0.0 110.337 -169.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -166.27 160.28 15.79 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.844 1.258 . . . . 0.0 112.641 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.4 mt -53.21 149.09 7.48 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.541 0.737 . . . . 0.0 110.37 169.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.272 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -175.79 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.5 p -135.31 -24.49 1.4 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.687 1.195 . . . . 0.0 114.128 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -88.51 132.02 34.67 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.648 1.179 . . . . 0.0 110.995 175.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.9 mt -129.21 122.03 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.56 1.944 . . . . 0.0 109.15 -169.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -81.29 135.62 35.72 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.338 1.455 . . . . 0.0 108.14 168.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.8 t -137.12 94.48 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.948 0.899 . . . . 0.0 109.463 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.26 -175.74 26.36 Favored Glycine 0 N--CA 1.47 0.947 0 C-N-CA 123.185 0.422 . . . . 0.0 113.467 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.76 13.61 75.16 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.087 0.851 . . . . 0.0 114.024 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.22 147.78 85.8 Favored Pre-proline 0 C--O 1.24 0.58 0 C-N-CA 125.306 1.442 . . . . 0.0 110.67 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -59.13 148.53 85.23 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.677 2.251 . . . . 0.0 111.384 167.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -64.32 -11.42 32.03 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -97.61 -7.44 31.12 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 115.165 1.542 . . . . 0.0 115.165 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.3 m -64.03 136.31 57.19 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.389 1.076 . . . . 0.0 109.438 169.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.3 m -113.44 168.13 10.0 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.022 0.929 . . . . 0.0 112.016 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -59.01 -34.94 72.44 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.333 1.053 . . . . 0.0 112.905 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -65.51 -43.74 89.16 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.413 1.085 . . . . 0.0 111.722 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -62.35 -45.04 94.97 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.179 1.392 . . . . 0.0 110.74 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.29 -35.84 66.19 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.592 0.757 . . . . 0.0 112.696 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -59.03 -44.14 91.7 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.769 0.713 . . . . 0.0 110.804 170.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -70.01 -37.65 75.73 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.782 0.833 . . . . 0.0 112.093 -174.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -64.06 -33.37 75.6 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -83.53 -6.42 59.44 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -67.11 -16.89 64.61 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.758 1.163 . . . . 0.0 113.115 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -69.2 -15.93 63.5 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.045 0.938 . . . . 0.0 113.38 173.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -99.31 -13.84 19.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.675 1.19 . . . . 0.0 113.272 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.85 -162.44 24.96 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.17 1.367 . . . . 0.0 112.864 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -71.57 149.08 46.03 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.099 1.36 . . . . 0.0 112.211 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.9 mt -129.4 137.0 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.276 1.43 . . . . 0.0 109.935 -170.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.69 -50.74 10.16 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.175 0.99 . . . . 0.0 111.463 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -168.61 153.39 6.12 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.874 1.67 . . . . 0.0 109.458 -171.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.0 155.62 45.44 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.838 1.255 . . . . 0.0 110.527 169.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.7 m -149.06 157.74 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.84 1.656 . . . . 0.0 110.8 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.3 t -125.68 132.44 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 168.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.6 mm -80.42 104.66 9.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.841 0.829 . . . . 0.0 110.809 -169.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p . . . . . 0 N--CA 1.464 0.225 0 C-N-CA 126.687 1.995 . . . . 0.0 108.3 169.426 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -88.92 -4.39 58.47 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.46 11.99 76.56 Favored Glycine 0 N--CA 1.475 1.271 0 C-N-CA 124.016 0.817 . . . . 0.0 114.578 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -144.63 165.07 29.07 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.974 1.31 . . . . 0.0 113.813 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -149.41 -171.97 18.54 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 127.119 2.295 . . . . 0.0 112.514 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -134.69 150.98 50.68 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.745 1.618 . . . . 0.0 110.876 175.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.4 t -136.43 137.31 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.867 1.667 . . . . 0.0 108.427 174.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.8 m -121.59 125.32 46.45 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.619 0.767 . . . . 0.0 109.206 175.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 81.5 mmm -90.45 144.99 25.27 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.299 1.04 . . . . 0.0 111.443 -174.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -71.72 -16.93 62.24 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -144.82 149.87 36.17 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.861 1.264 . . . . 0.0 111.019 172.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -56.49 -36.67 69.39 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.253 1.021 . . . . 0.0 112.077 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.92 -17.79 62.07 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 m -80.16 -33.01 38.79 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.288 -0.882 . . . . 0.0 111.208 170.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.22 -36.53 74.61 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.003 -1.06 . . . . 0.0 111.922 170.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -62.76 -21.62 65.97 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -85.58 -39.96 16.78 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.177 0.991 . . . . 0.0 111.796 171.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.48 84.45 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 16.1 p -74.44 -9.67 58.82 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -68.94 -22.42 64.14 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -120.26 101.24 47.06 Favored Pre-proline 0 CA--C 1.544 0.75 0 C-N-CA 124.701 1.201 . . . . 0.0 109.829 172.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.43 -15.4 15.76 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.294 2.662 . . . . 0.0 112.783 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -137.48 71.76 51.85 Favored Pre-proline 0 CA--C 1.554 1.12 0 C-N-CA 125.165 1.386 . . . . 0.0 111.75 -176.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.36 -11.13 16.04 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 124.287 3.324 . . . . 0.0 116.253 -171.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.9 mm 64.46 54.54 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 125.738 1.615 . . . . 0.0 111.424 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.7 mt -70.54 127.02 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.46 1.104 . . . . 0.0 109.819 -177.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 59.09 20.46 8.37 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.813 1.645 . . . . 0.0 114.085 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.19 30.69 10.6 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.497 1.046 . . . . 0.0 114.605 174.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -149.52 140.94 23.29 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.603 1.161 . . . . 0.0 109.902 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.12 102.66 0.31 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.622 0.725 . . . . 0.0 112.227 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.81 168.06 20.27 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.733 1.213 . . . . 0.0 110.723 172.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -136.7 103.69 5.29 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.824 1.65 . . . . 0.0 108.475 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 90.2 t -108.09 128.2 63.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.511 1.524 . . . . 0.0 110.369 -169.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -163.88 156.72 17.92 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.809 1.244 . . . . 0.0 112.613 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.7 mt -53.83 138.98 34.7 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.573 0.749 . . . . 0.0 110.137 169.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.337 0 N-CA-C 116.267 1.951 . . . . 0.0 116.267 -176.206 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.7 p -143.34 -19.21 0.62 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -174.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -93.32 128.87 39.52 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.809 1.244 . . . . 0.0 110.423 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.1 mt -126.83 119.12 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.44 1.496 . . . . 0.0 109.587 -168.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -79.43 138.63 37.68 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.521 1.128 . . . . 0.0 108.21 168.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.5 t -137.01 89.62 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.117 0.967 . . . . 0.0 109.502 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.74 -179.05 40.65 Favored Glycine 0 N--CA 1.467 0.735 0 C-N-CA 123.122 0.391 . . . . 0.0 113.09 172.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.04 24.03 75.94 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 123.969 0.795 . . . . 0.0 113.711 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.94 143.19 73.88 Favored Pre-proline 0 C--O 1.241 0.63 0 C-N-CA 124.381 1.072 . . . . 0.0 109.402 171.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.78 142.11 62.09 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.595 1.53 . . . . 0.0 108.624 169.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -60.29 -12.76 9.86 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 -168.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -91.53 0.06 57.55 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.663 1.585 . . . . 0.0 114.896 175.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.3 m -66.57 135.05 53.58 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.084 1.354 . . . . 0.0 109.566 173.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.5 m -110.12 168.94 9.06 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.18 0.992 . . . . 0.0 111.847 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -58.58 -33.61 70.16 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.099 -1.001 . . . . 0.0 112.967 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -70.21 -41.51 73.55 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.307 0.643 . . . . 0.0 111.787 172.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 m -57.95 -44.19 86.83 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.236 1.415 . . . . 0.0 110.666 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.62 -37.03 65.53 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -60.09 -41.89 93.45 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.688 -0.632 . . . . 0.0 111.169 172.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -66.33 -38.78 88.45 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.922 0.889 . . . . 0.0 112.122 -176.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -67.02 -31.25 71.67 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -86.63 -6.21 58.92 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -67.15 -17.86 65.03 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.646 1.112 . . . . 0.0 113.284 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -72.01 -19.12 61.91 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.281 1.032 . . . . 0.0 113.004 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -93.56 -16.49 24.36 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.612 1.165 . . . . 0.0 113.46 -175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.21 -146.34 18.31 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 124.586 1.089 . . . . 0.0 113.262 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -86.57 125.92 34.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.26 1.024 . . . . 0.0 112.061 -171.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.9 mt -100.16 130.93 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.793 1.237 . . . . 0.0 109.472 -177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -87.01 -44.09 11.85 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.692 1.597 . . . . 0.0 110.494 177.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -164.41 153.22 13.09 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.451 1.901 . . . . 0.0 109.622 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.73 144.73 28.49 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.861 1.264 . . . . 0.0 110.687 174.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 m -151.29 156.67 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 125.511 1.524 . . . . 0.0 111.487 -173.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.7 t -124.88 136.59 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.392 1.477 . . . . 0.0 107.525 169.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.6 mm -82.99 98.7 5.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-O 121.845 0.831 . . . . 0.0 111.335 -168.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.475 0.806 0 C-N-CA 127.276 2.23 . . . . 0.0 110.286 179.575 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -77.18 -9.74 58.96 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.25 3.26 79.08 Favored Glycine 0 N--CA 1.474 1.188 0 C-N-CA 124.81 1.195 . . . . 0.0 114.175 -174.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -138.82 162.67 34.19 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.41 -171.89 14.66 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 127.812 2.625 . . . . 0.0 112.054 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -136.49 151.61 49.63 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.694 1.598 . . . . 0.0 110.999 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -136.7 134.96 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.617 1.567 . . . . 0.0 108.318 172.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 83.5 m -116.69 131.28 56.99 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 173.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 89.4 mmm -99.9 146.26 26.86 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.564 1.146 . . . . 0.0 110.274 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -68.21 -17.52 64.34 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -152.65 150.79 29.85 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.614 1.166 . . . . 0.0 112.601 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -58.47 -30.53 67.04 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.996 1.319 . . . . 0.0 112.933 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.96 -25.65 61.09 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 176.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.7 m -81.32 -35.85 30.47 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.439 -0.788 . . . . 0.0 110.967 169.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.85 -37.94 85.42 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.74 -42.29 99.6 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.005 0.82 . . . . 0.0 111.483 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -64.86 -33.95 77.23 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.932 0.893 . . . . 0.0 112.004 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.42 -37.27 68.67 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.712 0.805 . . . . 0.0 113.046 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.32 -6.35 59.38 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -63.83 -17.09 62.78 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.489 1.516 . . . . 0.0 114.684 -174.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -131.22 113.9 15.97 Favored Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 126.259 1.823 . . . . 0.0 109.099 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.92 -16.52 12.63 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.95 2.434 . . . . 0.0 113.447 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -132.59 70.1 79.48 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 124.923 1.289 . . . . 0.0 112.154 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.83 -11.71 16.63 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.973 3.115 . . . . 0.0 116.546 -173.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mm 65.43 60.74 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 125.97 1.708 . . . . 0.0 111.281 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.4 mt -72.75 118.32 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.122 -0.986 . . . . 0.0 110.021 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 t70 60.45 18.37 8.13 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.867 2.067 . . . . 0.0 114.67 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.11 32.47 4.96 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.745 1.164 . . . . 0.0 115.833 172.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.25 141.32 21.27 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.67 1.235 . . . . 0.0 109.513 172.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -62.56 110.89 1.84 Allowed 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.602 -0.686 . . . . 0.0 111.116 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -84.55 173.21 10.99 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.661 1.584 . . . . 0.0 111.301 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -143.81 97.73 3.11 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.887 1.675 . . . . 0.0 108.95 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 87.7 t -108.75 129.33 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.141 1.376 . . . . 0.0 110.269 -169.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -159.12 160.53 35.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.091 0.957 . . . . 0.0 113.453 170.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.7 mt -65.23 115.51 5.62 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 169.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.157 0 C-N-CA 127.734 2.414 . . . . 0.0 117.158 -169.364 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 . . . . . 0 CA--C 1.541 0.634 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.4 p -130.58 -22.12 2.74 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.748 1.219 . . . . 0.0 113.633 -174.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -86.43 126.05 34.12 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.361 1.064 . . . . 0.0 109.982 169.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.6 mt -125.73 119.64 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 126.01 1.724 . . . . 0.0 108.801 -169.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -80.64 139.57 36.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.491 1.516 . . . . 0.0 108.949 169.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.92 97.8 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.992 0.917 . . . . 0.0 109.375 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -107.71 -176.98 22.41 Favored Glycine 0 N--CA 1.471 0.975 0 C-N-CA 123.152 0.406 . . . . 0.0 113.26 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.94 16.4 74.69 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.168 0.89 . . . . 0.0 113.799 -174.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.6 mt -71.16 145.64 91.41 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 125.133 1.373 . . . . 0.0 109.744 174.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -71.28 149.42 57.25 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.001 1.8 . . . . 0.0 109.412 169.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -64.18 -9.41 16.72 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -170.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -92.68 -5.73 50.76 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -65.12 139.22 58.67 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.827 1.251 . . . . 0.0 109.957 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -113.58 168.79 9.47 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.63 1.172 . . . . 0.0 112.23 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -58.32 -32.68 68.7 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.966 0.906 . . . . 0.0 112.157 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -72.0 -45.07 62.28 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.462 1.105 . . . . 0.0 111.279 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.5 m -54.58 -45.3 73.54 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.856 1.262 . . . . 0.0 110.888 176.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 tp -74.92 -38.24 61.85 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -59.77 -43.02 94.53 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.773 0.715 . . . . 0.0 111.084 172.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -69.19 -37.23 78.02 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.252 1.021 . . . . 0.0 111.663 -174.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -66.59 -31.53 72.29 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.415 -0.803 . . . . 0.0 113.022 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -84.23 -8.43 59.05 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.21 -16.41 64.28 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.673 1.124 . . . . 0.0 113.193 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -72.95 -15.56 61.56 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.243 1.017 . . . . 0.0 113.229 175.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -98.34 -16.18 19.44 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.509 1.124 . . . . 0.0 113.28 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.33 -145.04 16.39 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 124.416 1.008 . . . . 0.0 113.493 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -92.52 132.47 36.8 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.469 1.107 . . . . 0.0 112.271 -169.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.9 mt -111.47 126.56 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.831 1.253 . . . . 0.0 109.893 -172.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -82.88 -44.76 15.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.028 1.731 . . . . 0.0 110.612 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -166.1 152.07 8.98 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.635 1.974 . . . . 0.0 109.211 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.16 147.3 29.3 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.79 1.236 . . . . 0.0 110.983 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.1 m -150.82 157.85 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.664 1.586 . . . . 0.0 111.422 -174.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.0 t -127.61 137.45 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.399 1.479 . . . . 0.0 107.299 168.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.0 mm -83.89 95.34 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 C-N-CA 124.268 1.027 . . . . 0.0 108.983 -169.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.476 0.85 0 C-N-CA 129.367 3.067 . . . . 0.0 108.53 -179.807 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -88.83 -0.14 57.08 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.232 1.413 . . . . 0.0 113.157 169.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.39 8.19 68.58 Favored Glycine 0 N--CA 1.475 1.242 0 C-N-CA 124.998 1.285 . . . . 0.0 114.911 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -147.98 168.96 20.94 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.943 1.297 . . . . 0.0 114.122 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.27 -173.02 22.09 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 127.888 2.661 . . . . 0.0 112.326 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -138.26 150.58 46.81 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.741 1.616 . . . . 0.0 111.236 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.1 t -136.6 133.74 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.818 1.647 . . . . 0.0 108.3 172.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.5 m -114.91 128.64 56.41 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.046 0.938 . . . . 0.0 108.524 174.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 80.1 mmm -96.35 145.09 25.92 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.288 1.035 . . . . 0.0 110.74 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -69.81 -17.01 63.38 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -152.39 150.36 29.6 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.972 1.309 . . . . 0.0 111.068 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -58.91 -29.19 66.89 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.805 1.242 . . . . 0.0 112.768 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.1 -27.11 69.16 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.347 1.059 . . . . 0.0 113.578 173.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -85.66 -32.02 22.21 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.49 0.716 . . . . 0.0 111.754 175.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.91 -37.92 67.07 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 120.985 -1.072 . . . . 0.0 112.869 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -60.87 -33.97 73.9 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.967 0.907 . . . . 0.0 111.793 171.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -73.55 -33.12 64.54 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.719 0.808 . . . . 0.0 112.734 172.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.46 68.01 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.6 p -73.94 -7.0 50.73 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -65.92 -22.64 66.51 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -122.07 90.24 48.76 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 126.068 1.747 . . . . 0.0 110.15 175.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -66.26 -34.04 37.22 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.573 2.849 . . . . 0.0 112.748 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -122.11 79.0 43.03 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.506 1.123 . . . . 0.0 111.822 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -80.73 -15.54 10.76 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.997 3.131 . . . . 0.0 115.687 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mm 63.79 55.15 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.715 1.606 . . . . 0.0 111.024 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.8 mt -69.79 117.99 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 O-C-N 121.098 -1.002 . . . . 0.0 109.775 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.71 22.27 9.8 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.536 1.935 . . . . 0.0 114.47 176.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.28 35.43 5.0 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.627 1.108 . . . . 0.0 115.576 170.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.2 ttt85 -151.72 141.2 21.6 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.765 1.282 . . . . 0.0 110.394 169.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -64.64 102.79 0.6 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.727 0.775 . . . . 0.0 111.85 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.6 164.95 20.47 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.948 1.299 . . . . 0.0 111.54 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -130.11 103.88 7.0 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.662 1.985 . . . . 0.0 108.893 175.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.0 t -97.92 126.17 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.198 1.799 . . . . 0.0 109.06 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -163.25 159.67 23.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.186 0.994 . . . . 0.0 112.702 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.9 mt -53.8 148.53 9.98 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.604 0.762 . . . . 0.0 110.61 170.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.287 0 C-N-CA 125.79 1.636 . . . . 0.0 115.414 -178.275 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.5 p -124.9 -18.91 5.39 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -85.89 125.33 33.25 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.869 1.268 . . . . 0.0 110.562 170.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.6 mt -126.52 119.32 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 126.28 1.832 . . . . 0.0 108.867 -170.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -82.71 135.88 34.89 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.135 1.374 . . . . 0.0 108.324 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -136.11 90.54 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.722 0.809 . . . . 0.0 109.68 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.37 -171.02 32.01 Favored Glycine 0 N--CA 1.468 0.792 0 C-N-CA 123.122 0.391 . . . . 0.0 113.308 175.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.14 7.51 82.07 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 123.839 0.733 . . . . 0.0 114.872 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.41 149.64 97.19 Favored Pre-proline 0 C--O 1.242 0.677 0 C-N-CA 125.544 1.538 . . . . 0.0 111.328 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.51 143.23 34.17 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.383 2.055 . . . . 0.0 108.659 168.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.06 -9.63 11.14 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -171.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -90.77 1.23 57.07 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.33 1.452 . . . . 0.0 114.804 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.0 m -69.61 134.08 48.35 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.936 1.294 . . . . 0.0 109.651 173.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.7 m -110.76 170.09 8.33 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.272 1.029 . . . . 0.0 112.075 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -56.97 -41.26 78.03 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.327 1.051 . . . . 0.0 112.161 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -71.39 -34.72 70.64 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.706 0.803 . . . . 0.0 112.313 175.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -58.54 -41.22 85.06 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.753 1.221 . . . . 0.0 110.803 176.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.2 tp -72.97 -40.15 65.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.61 0.764 . . . . 0.0 112.305 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -59.69 -38.14 80.74 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.692 -0.63 . . . . 0.0 111.862 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.4 -15.21 61.84 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.953 1.301 . . . . 0.0 113.374 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -90.98 -41.24 11.22 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.237 0.926 . . . . 0.0 112.529 170.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -77.72 -14.68 59.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -174.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -7.83 46.8 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -76.92 -17.39 58.95 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.824 0.85 . . . . 0.0 113.037 171.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -95.61 -11.88 26.53 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.584 1.154 . . . . 0.0 113.386 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.84 -149.07 20.24 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 125.003 1.287 . . . . 0.0 112.755 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -87.3 120.75 28.91 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.907 0.883 . . . . 0.0 112.277 -170.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -89.44 131.17 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.534 1.134 . . . . 0.0 109.608 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -85.26 -43.59 13.62 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.685 1.594 . . . . 0.0 110.078 172.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -161.39 147.62 14.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.59 1.956 . . . . 0.0 109.315 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.13 132.79 19.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.559 1.144 . . . . 0.0 110.221 174.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.8 m -151.19 157.51 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.045 1.338 . . . . 0.0 111.936 -170.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.4 t -115.85 137.16 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.148 1.779 . . . . 0.0 108.229 172.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.4 mm -74.91 104.98 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.489 0.662 . . . . 0.0 109.855 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.466 0.325 0 C-N-CA 127.059 2.143 . . . . 0.0 108.941 177.525 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 N--CA 1.471 0.597 0 CA-C-O 120.929 0.395 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -90.64 2.23 56.08 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.68 9.39 66.47 Favored Glycine 0 N--CA 1.474 1.207 0 C-N-CA 124.567 1.08 . . . . 0.0 114.52 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -149.56 162.25 40.55 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.408 1.483 . . . . 0.0 113.982 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.05 -174.21 18.92 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 127.432 2.444 . . . . 0.0 112.521 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -133.92 146.98 51.02 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.909 1.684 . . . . 0.0 111.043 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.88 133.7 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 125.66 1.584 . . . . 0.0 108.182 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.8 m -118.59 130.51 55.93 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 172.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.5 mmm -99.92 148.15 24.79 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.279 1.032 . . . . 0.0 110.798 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -68.18 -18.34 64.57 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -154.06 150.17 27.93 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.933 1.293 . . . . 0.0 111.93 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -55.92 -32.42 63.76 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.471 1.509 . . . . 0.0 112.631 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.58 -21.93 63.57 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.8 m -86.58 -30.73 21.63 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.895 -1.128 . . . . 0.0 112.038 172.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.98 -35.77 56.95 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -64.61 -36.62 84.85 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.06 0.845 . . . . 0.0 111.691 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -67.36 -24.78 65.74 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.457 1.103 . . . . 0.0 113.142 172.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.74 -32.0 28.12 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.954 0.902 . . . . 0.0 113.33 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.1 p -78.79 -3.5 44.72 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -61.98 -26.89 68.48 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -177.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -129.56 111.28 17.68 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 125.628 1.571 . . . . 0.0 109.961 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.66 -15.92 15.09 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.918 2.412 . . . . 0.0 113.145 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -130.29 73.01 81.69 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.761 1.225 . . . . 0.0 112.415 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.59 -13.46 14.77 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.125 3.216 . . . . 0.0 116.094 -174.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 64.53 58.54 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 125.902 1.681 . . . . 0.0 111.268 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.2 mt -71.69 119.32 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 121.134 -0.979 . . . . 0.0 109.853 -175.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.4 t0 58.22 25.42 12.59 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.616 1.966 . . . . 0.0 114.047 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.14 32.97 7.14 Favored Glycine 0 CA--C 1.534 1.24 0 N-CA-C 115.583 0.993 . . . . 0.0 115.583 171.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -151.71 143.3 23.57 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 118.553 1.177 . . . . 0.0 109.597 170.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -61.79 103.46 0.35 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.45 0.643 . . . . 0.0 111.921 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.59 164.18 25.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.05 1.34 . . . . 0.0 110.778 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -132.06 98.59 4.47 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.364 1.866 . . . . 0.0 108.446 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.4 t -101.0 127.92 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.561 1.544 . . . . 0.0 109.824 -174.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -163.81 157.49 18.96 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.453 1.101 . . . . 0.0 112.585 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.06 147.44 29.57 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.6 -0.687 . . . . 0.0 109.781 169.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 1.421 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -179.616 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.3 p -139.78 -26.95 0.78 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -174.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -85.22 140.21 31.06 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.749 1.22 . . . . 0.0 110.782 170.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.6 mt -141.22 119.15 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.193 1.397 . . . . 0.0 110.035 -168.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.68 138.19 37.29 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.783 1.633 . . . . 0.0 107.967 167.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.6 t -138.11 92.89 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 123.933 0.893 . . . . 0.0 108.967 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.26 -176.8 27.63 Favored Glycine 0 N--CA 1.47 0.94 0 C-N-CA 123.201 0.429 . . . . 0.0 113.141 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.55 19.02 76.04 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 123.617 0.627 . . . . 0.0 113.284 -174.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.6 mt -73.06 144.52 85.08 Favored Pre-proline 0 C--O 1.241 0.635 0 C-N-CA 124.683 1.193 . . . . 0.0 109.447 173.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.94 145.5 56.27 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 121.794 1.663 . . . . 0.0 108.767 169.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -62.5 -11.58 17.1 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -170.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -93.76 -5.34 48.55 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.505 1.522 . . . . 0.0 115.049 176.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.4 m -67.61 131.89 46.49 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.403 1.081 . . . . 0.0 108.83 169.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.1 m -110.34 171.37 7.5 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.264 1.025 . . . . 0.0 112.361 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.29 -40.3 70.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.204 1.401 . . . . 0.0 112.033 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -69.76 -40.72 75.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.749 1.22 . . . . 0.0 112.493 174.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -57.64 -43.08 84.61 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.086 1.354 . . . . 0.0 110.632 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.5 tp -72.66 -38.28 67.68 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.734 0.814 . . . . 0.0 112.628 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -61.28 -38.64 87.48 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.559 -0.713 . . . . 0.0 111.627 172.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -76.26 -11.45 59.91 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.58 1.152 . . . . 0.0 113.109 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -89.97 -43.54 10.49 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.932 0.787 . . . . 0.0 112.171 169.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -77.83 -13.28 59.94 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -174.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -7.49 44.07 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -74.61 -18.84 60.5 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.676 0.79 . . . . 0.0 112.732 169.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -94.94 -13.11 25.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.815 1.246 . . . . 0.0 113.195 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 139.0 -145.54 16.86 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 124.854 1.216 . . . . 0.0 112.793 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -92.17 131.58 37.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.302 1.041 . . . . 0.0 112.436 -170.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.2 mt -106.05 132.86 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.273 1.429 . . . . 0.0 110.09 -176.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.45 -47.58 17.19 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.907 1.283 . . . . 0.0 110.793 169.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -165.31 149.27 8.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.663 1.985 . . . . 0.0 109.373 -175.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.27 141.37 28.54 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.017 1.327 . . . . 0.0 110.453 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.9 m -149.6 159.12 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.341 1.456 . . . . 0.0 111.764 -172.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.2 t -122.01 137.39 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.13 1.772 . . . . 0.0 108.54 169.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.8 mm -81.9 96.15 3.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 122.32 1.057 . . . . 0.0 110.75 -174.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.2 p . . . . . 0 CA--C 1.516 -0.328 0 C-N-CA 126.941 2.097 . . . . 0.0 107.28 168.393 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -90.26 -4.42 57.18 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 173.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.69 15.13 78.57 Favored Glycine 0 N--CA 1.475 1.28 0 CA-C-N 119.405 1.002 . . . . 0.0 114.418 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -143.65 163.25 33.76 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.16 1.384 . . . . 0.0 113.503 173.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.31 -172.56 16.75 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 126.713 2.102 . . . . 0.0 112.807 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -133.32 149.34 51.91 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 125.773 1.629 . . . . 0.0 111.126 175.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.3 t -136.88 136.8 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 126.028 1.731 . . . . 0.0 107.943 173.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -123.88 132.4 53.74 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.949 0.9 . . . . 0.0 108.584 175.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 78.9 mmm -101.19 149.66 23.76 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.661 1.184 . . . . 0.0 111.206 -173.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -67.21 -21.86 65.74 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -154.54 152.48 30.11 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.84 1.256 . . . . 0.0 111.952 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -56.78 -30.21 63.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.762 1.225 . . . . 0.0 112.782 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.8 -20.12 63.46 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.8 m -88.67 -35.16 16.94 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.909 -1.119 . . . . 0.0 111.465 169.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.5 -34.67 74.65 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -63.1 -40.47 97.74 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.039 0.836 . . . . 0.0 111.776 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -67.21 -31.49 71.91 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.524 1.129 . . . . 0.0 111.905 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.0 65.35 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.841 0.856 . . . . 0.0 112.897 174.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.6 p -85.36 -4.17 59.07 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -58.41 -26.17 62.96 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.113 1.765 . . . . 0.0 114.258 -172.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -137.27 129.65 16.89 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 126.109 1.764 . . . . 0.0 109.58 169.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.79 -14.47 13.93 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.993 2.462 . . . . 0.0 114.09 -173.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -128.52 78.03 76.41 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 124.692 1.197 . . . . 0.0 112.31 -173.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -78.94 -15.38 13.2 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.066 3.177 . . . . 0.0 115.648 -175.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.1 mm 67.25 60.44 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 126.042 1.737 . . . . 0.0 111.402 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.8 mt -72.95 119.59 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.282 1.033 . . . . 0.0 110.529 -174.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 t70 61.57 18.22 9.29 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.87 2.068 . . . . 0.0 114.301 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.78 30.88 6.25 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.873 1.225 . . . . 0.0 115.413 174.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -152.19 141.07 21.07 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.346 1.458 . . . . 0.0 109.914 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -62.79 104.14 0.51 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.228 0.611 . . . . 0.0 112.323 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.21 165.45 20.45 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.59 1.156 . . . . 0.0 110.804 171.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -137.17 100.27 4.22 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.495 1.518 . . . . 0.0 109.148 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.0 t -93.68 129.6 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.936 1.294 . . . . 0.0 110.287 -171.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -144.83 143.08 30.44 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.098 1.359 . . . . 0.0 110.958 -173.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.16 32.52 0.08 Allowed 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.297 1.839 . . . . 0.0 114.48 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.237 0 C-N-CA 127.323 2.249 . . . . 0.0 110.954 -170.851 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.0 p -102.66 -11.95 18.05 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.557 1.543 . . . . 0.0 113.459 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -93.9 127.34 39.61 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.65 0.78 . . . . 0.0 112.089 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.7 mt -128.31 122.54 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.312 1.445 . . . . 0.0 110.033 -168.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -85.34 139.08 31.86 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.478 1.511 . . . . 0.0 108.747 169.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -136.48 87.27 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.306 1.042 . . . . 0.0 109.592 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -93.27 -176.88 40.49 Favored Glycine 0 N--CA 1.468 0.828 0 C-N-CA 123.665 0.65 . . . . 0.0 113.38 174.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.84 14.05 75.55 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.661 1.124 . . . . 0.0 114.443 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.43 148.09 93.11 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 125.16 1.384 . . . . 0.0 110.376 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -72.35 144.53 41.31 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 122.145 1.896 . . . . 0.0 108.859 168.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -61.55 -13.75 24.09 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -169.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -85.51 -4.88 59.29 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.1 m -66.75 135.43 53.97 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.899 1.28 . . . . 0.0 109.59 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.9 m -113.47 169.18 9.15 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.18 0.992 . . . . 0.0 112.187 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -55.6 -37.59 68.32 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.657 1.183 . . . . 0.0 112.736 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -65.98 -45.42 81.73 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.072 0.949 . . . . 0.0 111.748 172.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.9 m -57.42 -43.74 84.08 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.437 1.495 . . . . 0.0 111.068 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.6 tp -74.54 -38.13 62.83 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -59.67 -40.46 87.89 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.529 0.604 . . . . 0.0 111.267 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.85 -14.79 61.58 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.631 1.173 . . . . 0.0 113.318 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -88.98 -42.36 11.83 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.175 0.898 . . . . 0.0 112.063 169.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -79.72 -15.89 56.68 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -6.32 34.91 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -75.84 -17.11 59.94 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.427 -0.795 . . . . 0.0 112.331 169.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -104.96 -20.3 13.58 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.373 1.469 . . . . 0.0 113.127 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.65 -166.27 34.53 Favored Glycine 0 C--N 1.34 0.77 0 N-CA-C 117.732 1.853 . . . . 0.0 117.732 -169.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -96.11 -24.65 16.2 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 117.713 2.486 . . . . 0.0 117.713 -167.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.0 mt 58.37 117.23 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 C-N-CA 129.337 3.055 . . . . 0.0 115.883 175.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -72.25 -45.03 61.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.326 1.45 . . . . 0.0 111.437 168.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -163.1 144.56 9.78 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.841 2.056 . . . . 0.0 108.696 -175.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.24 140.35 32.24 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.008 1.323 . . . . 0.0 110.008 172.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.1 m -153.36 159.86 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.191 1.396 . . . . 0.0 112.015 -170.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.7 t -128.1 132.18 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.476 1.51 . . . . 0.0 107.425 168.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.5 mm -81.76 114.05 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 124.063 0.945 . . . . 0.0 111.859 -168.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.2 p . . . . . 0 N--CA 1.469 0.486 0 C-N-CA 126.659 1.984 . . . . 0.0 109.422 173.511 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -85.45 -2.2 57.86 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 172.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.16 11.72 83.23 Favored Glycine 0 N--CA 1.471 1.002 0 CA-C-N 119.031 0.832 . . . . 0.0 113.971 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -138.62 158.32 44.46 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.657 1.183 . . . . 0.0 114.06 174.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.4 -172.9 13.97 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 127.315 2.388 . . . . 0.0 112.207 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -135.8 151.93 50.57 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.446 1.498 . . . . 0.0 110.689 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.6 t -137.78 131.29 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 125.487 1.515 . . . . 0.0 107.983 169.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.6 m -115.12 129.42 56.67 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 78.2 mmm -96.3 149.63 21.46 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.508 1.123 . . . . 0.0 111.198 -175.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -70.67 -24.48 62.69 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.25 157.12 43.79 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.928 0.891 . . . . 0.0 113.247 174.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -60.15 -27.15 66.85 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.346 -0.846 . . . . 0.0 112.564 174.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.12 -19.92 64.04 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 174.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.41 -31.66 14.54 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.079 -1.013 . . . . 0.0 112.074 169.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.41 86.87 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.198 -0.938 . . . . 0.0 113.242 173.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.55 -37.62 88.19 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.51 0.595 . . . . 0.0 111.873 174.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -68.22 -34.01 75.46 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.69 1.196 . . . . 0.0 112.388 173.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.83 -29.85 61.19 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.8 p -83.13 -2.57 55.79 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -62.46 -25.5 68.02 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -175.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -126.92 110.64 22.03 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.307 1.443 . . . . 0.0 109.882 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -78.11 -15.79 14.39 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.01 2.473 . . . . 0.0 113.079 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -134.1 71.37 73.23 Favored Pre-proline 0 CA--C 1.554 1.127 0 C-N-CA 125.243 1.417 . . . . 0.0 111.911 -176.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -77.21 -12.47 17.35 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 124.276 3.317 . . . . 0.0 116.31 -172.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mm 64.24 56.33 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 125.907 1.683 . . . . 0.0 111.291 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.5 118.17 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 121.096 -1.003 . . . . 0.0 110.044 -174.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.01 20.87 9.97 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.611 1.964 . . . . 0.0 114.454 176.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.85 35.14 4.95 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.746 1.165 . . . . 0.0 115.415 171.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.2 ttt85 -152.82 142.88 22.3 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.522 1.161 . . . . 0.0 109.893 170.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.51 103.59 0.43 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.474 0.654 . . . . 0.0 111.607 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.69 166.45 22.97 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.196 0.999 . . . . 0.0 110.607 172.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -132.84 108.86 9.23 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.651 1.58 . . . . 0.0 108.535 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.3 t -109.94 122.4 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.906 1.282 . . . . 0.0 109.901 -173.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -163.03 168.27 21.24 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.52 1.528 . . . . 0.0 111.727 173.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.68 155.4 15.85 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.436 -0.79 . . . . 0.0 111.519 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.293 0 C-N-CA 125.613 1.565 . . . . 0.0 114.983 179.673 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.6 p -133.48 -28.18 1.48 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.08 1.352 . . . . 0.0 113.331 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -82.73 148.16 28.03 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.326 1.45 . . . . 0.0 111.731 173.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.3 mt -147.76 124.08 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.859 1.664 . . . . 0.0 109.772 -169.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -86.01 140.63 30.12 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.247 1.419 . . . . 0.0 108.423 167.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.04 88.61 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.215 1.006 . . . . 0.0 109.493 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.56 -177.05 38.58 Favored Glycine 0 N--CA 1.468 0.813 0 C-N-CA 123.711 0.672 . . . . 0.0 113.431 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.77 16.21 72.02 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 123.938 0.78 . . . . 0.0 113.493 -176.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.97 142.23 85.09 Favored Pre-proline 0 C--O 1.24 0.557 0 C-N-CA 124.355 1.062 . . . . 0.0 109.501 175.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.65 141.24 54.2 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 121.791 1.661 . . . . 0.0 108.802 169.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -59.41 -15.19 15.37 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -169.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -88.23 -1.1 57.82 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.468 1.507 . . . . 0.0 114.987 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.0 m -66.29 127.33 31.81 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.796 1.238 . . . . 0.0 109.379 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.6 p -94.53 166.67 11.93 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.99 0.9 . . . . 0.0 112.673 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -56.81 -36.85 70.41 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.465 1.106 . . . . 0.0 111.455 173.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -72.75 -40.16 66.26 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.086 0.954 . . . . 0.0 112.54 173.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.2 m -57.23 -41.31 79.28 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 119.364 0.984 . . . . 0.0 110.62 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.4 tp -73.33 -40.18 64.67 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -59.85 -39.05 83.89 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.383 -0.823 . . . . 0.0 111.765 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.79 -10.48 59.4 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.224 1.409 . . . . 0.0 112.783 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -92.46 -44.7 8.52 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.802 0.728 . . . . 0.0 112.072 169.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -75.72 -13.48 60.31 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -174.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -7.4 38.08 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -73.95 -19.72 60.59 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.695 0.798 . . . . 0.0 112.937 170.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -93.71 -15.61 25.07 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.632 1.173 . . . . 0.0 113.014 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.6 -153.75 24.3 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.499 1.523 . . . . 0.0 112.687 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -86.32 137.78 32.33 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.338 1.055 . . . . 0.0 112.339 -171.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.3 mt -110.25 129.07 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.17 1.388 . . . . 0.0 110.58 -173.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -73.86 -46.89 42.02 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.853 1.261 . . . . 0.0 111.064 169.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -163.51 146.3 10.0 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.62 1.968 . . . . 0.0 109.146 -175.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.72 136.43 23.12 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.094 1.358 . . . . 0.0 109.881 173.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 m -150.8 157.63 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.085 1.354 . . . . 0.0 111.847 -169.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.2 t -121.5 133.1 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.95 1.7 . . . . 0.0 108.265 170.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.6 mm -77.82 110.5 13.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 123.324 0.65 . . . . 0.0 110.601 -172.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.6 p . . . . . 0 N--CA 1.465 0.303 0 C-N-CA 126.253 1.821 . . . . 0.0 109.094 170.378 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -83.05 -6.95 59.69 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.92 5.4 77.45 Favored Glycine 0 N--CA 1.476 1.325 0 C-N-CA 124.722 1.153 . . . . 0.0 114.295 -177.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -143.03 161.78 37.22 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.932 1.293 . . . . 0.0 114.045 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.4 -174.05 16.32 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 127.092 2.282 . . . . 0.0 112.364 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -136.42 151.21 49.27 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.794 1.637 . . . . 0.0 111.08 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.3 t -139.18 141.73 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 126.17 1.788 . . . . 0.0 108.267 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.2 m -131.82 132.75 44.0 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.172 0.989 . . . . 0.0 108.895 174.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 80.5 mmm -102.47 145.4 29.62 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.701 1.2 . . . . 0.0 111.423 -172.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -67.98 -23.9 65.08 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -175.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -141.22 146.33 36.75 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.703 1.601 . . . . 0.0 110.929 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -54.9 -43.11 72.94 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.475 1.11 . . . . 0.0 112.472 -174.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.7 -14.07 62.78 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -82.78 -34.56 27.02 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.284 -0.885 . . . . 0.0 111.511 170.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.93 -33.76 66.14 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.171 -0.955 . . . . 0.0 112.277 171.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.13 -39.59 86.82 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.262 0.625 . . . . 0.0 111.847 171.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -68.07 -38.57 82.57 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.691 0.796 . . . . 0.0 112.251 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.81 -39.86 72.82 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.6 p -75.11 -11.05 60.0 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -64.05 -26.91 68.77 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.379 1.472 . . . . 0.0 113.763 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -114.06 109.68 49.3 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.513 1.525 . . . . 0.0 109.521 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.08 -16.09 15.98 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.929 2.419 . . . . 0.0 113.151 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -139.64 77.37 28.15 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 125.025 1.33 . . . . 0.0 111.714 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.24 -11.8 14.52 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 124.181 3.254 . . . . 0.0 116.154 -171.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.3 mm 65.18 54.85 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 125.448 1.499 . . . . 0.0 111.651 176.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.9 mt -69.25 121.13 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.543 1.137 . . . . 0.0 110.397 -174.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.96 19.51 9.9 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.902 2.081 . . . . 0.0 114.192 -178.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.7 25.78 14.58 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.469 1.033 . . . . 0.0 114.928 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -144.7 136.43 25.7 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.488 1.515 . . . . 0.0 109.78 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.75 102.58 0.6 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -173.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.53 168.14 19.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.947 1.299 . . . . 0.0 110.821 169.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -138.63 109.26 6.6 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.731 1.613 . . . . 0.0 108.882 -174.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 81.9 t -108.68 133.91 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.167 1.387 . . . . 0.0 110.804 -169.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -158.02 166.73 31.81 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.844 1.258 . . . . 0.0 112.529 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.0 mt -74.99 18.15 0.19 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.99 1.716 . . . . 0.0 115.488 -174.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.276 0 C-N-CA 127.23 2.212 . . . . 0.0 112.86 -177.359 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 CA--C 1.544 0.73 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.0 p -132.43 -24.22 2.05 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.396 1.478 . . . . 0.0 113.74 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -88.54 128.31 35.56 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.742 1.617 . . . . 0.0 110.592 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.0 mt -127.92 119.41 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.972 1.709 . . . . 0.0 109.494 -168.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -81.8 134.12 35.4 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.1 1.36 . . . . 0.0 108.176 169.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.31 92.06 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.767 0.827 . . . . 0.0 109.55 -176.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.36 -173.93 29.88 Favored Glycine 0 N--CA 1.466 0.673 0 C-N-CA 123.87 0.748 . . . . 0.0 113.778 177.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.03 15.56 67.45 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.345 0.974 . . . . 0.0 113.905 -175.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -72.22 146.51 89.65 Favored Pre-proline 0 C--O 1.24 0.577 0 C-N-CA 124.479 1.112 . . . . 0.0 110.27 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.06 145.59 44.96 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.115 1.877 . . . . 0.0 108.642 168.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -63.59 -10.03 16.43 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -171.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -95.08 -4.01 47.1 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.598 1.559 . . . . 0.0 115.039 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.4 m -66.63 130.47 43.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.485 1.114 . . . . 0.0 109.434 169.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -100.94 167.65 10.13 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.378 1.071 . . . . 0.0 111.699 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.91 -29.17 69.43 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.041 -1.037 . . . . 0.0 112.4 173.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -70.15 -44.61 68.47 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.47 0.708 . . . . 0.0 111.432 171.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -57.19 -44.43 83.59 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.531 1.532 . . . . 0.0 110.769 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.6 tp -73.86 -37.85 64.65 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.42 0.688 . . . . 0.0 112.73 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -60.15 -41.39 92.65 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.742 0.701 . . . . 0.0 111.195 172.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -65.59 -37.41 86.56 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.82 0.848 . . . . 0.0 112.134 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -69.01 -30.05 68.37 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -86.47 -7.03 58.74 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -175.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -67.08 -16.96 64.67 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.636 1.107 . . . . 0.0 113.245 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -74.32 -15.17 60.96 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.52 1.128 . . . . 0.0 113.31 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -97.67 -14.6 20.83 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.437 1.095 . . . . 0.0 113.343 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.89 -144.78 16.85 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.371 0.986 . . . . 0.0 113.34 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -89.32 119.45 29.8 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.341 1.056 . . . . 0.0 112.074 -169.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.5 mt -91.33 131.24 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.451 1.1 . . . . 0.0 109.484 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -94.1 -35.79 12.39 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.119 1.767 . . . . 0.0 111.548 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -164.31 150.91 11.19 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.311 1.844 . . . . 0.0 109.35 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.33 138.91 19.61 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.607 1.163 . . . . 0.0 110.667 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.2 m -151.14 158.85 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.961 1.704 . . . . 0.0 111.231 -173.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.5 t -128.79 133.24 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.396 1.478 . . . . 0.0 107.863 169.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.406 HG13 ' CE1' ' A' ' 78' ' ' TYR . 29.0 mm -78.86 117.59 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 123.657 0.783 . . . . 0.0 110.678 -171.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 N--CA 1.466 0.365 0 C-N-CA 126.5 1.92 . . . . 0.0 107.924 169.63 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 N--CA 1.471 0.597 0 CA-C-O 120.843 0.354 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -84.98 -4.15 59.04 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.7 2.11 90.61 Favored Glycine 0 N--CA 1.474 1.171 0 C-N-CA 124.89 1.233 . . . . 0.0 114.02 -176.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.406 ' CE1' HG13 ' A' ' 67' ' ' ILE . 30.0 p90 -143.87 161.98 37.26 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.715 1.206 . . . . 0.0 114.193 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.11 -171.31 12.33 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 127.334 2.397 . . . . 0.0 111.949 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -134.41 148.46 50.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 125.46 1.504 . . . . 0.0 110.696 176.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.0 t -135.38 136.46 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.251 1.42 . . . . 0.0 107.865 171.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.3 m -119.8 135.72 54.74 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 174.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 85.4 mmm -104.13 142.16 34.97 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.291 1.037 . . . . 0.0 110.451 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -60.03 -21.56 61.52 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -153.37 152.29 30.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.882 1.273 . . . . 0.0 111.692 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -56.98 -29.02 62.9 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.156 1.382 . . . . 0.0 112.656 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.63 -21.41 65.38 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.1 m -90.79 -30.06 17.23 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.247 -0.908 . . . . 0.0 111.909 172.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.8 -34.57 62.42 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.887 -1.133 . . . . 0.0 113.228 175.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -65.34 -31.87 73.22 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.583 -0.698 . . . . 0.0 112.173 174.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -71.13 -34.4 71.01 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.479 1.112 . . . . 0.0 112.27 171.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.97 -30.57 66.88 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.0 p -77.99 -4.13 45.48 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -65.14 -23.3 67.09 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -128.84 105.61 18.49 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.055 1.342 . . . . 0.0 109.535 171.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.5 -14.4 12.95 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.132 2.554 . . . . 0.0 113.169 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -136.71 73.86 53.43 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.634 1.174 . . . . 0.0 111.169 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -78.21 -10.8 16.32 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 124.318 3.345 . . . . 0.0 116.365 -169.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.2 mm 64.73 55.31 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.293 1.437 . . . . 0.0 111.255 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.2 mt -67.2 120.23 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.332 1.053 . . . . 0.0 110.155 -175.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.7 21.4 10.13 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.781 2.032 . . . . 0.0 114.143 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.17 26.07 11.78 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.634 1.111 . . . . 0.0 115.238 174.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -146.35 135.94 23.11 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.002 1.321 . . . . 0.0 109.853 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.98 103.17 0.56 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.55 0.74 . . . . 0.0 112.807 -173.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.66 172.63 13.5 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.723 1.209 . . . . 0.0 110.993 173.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -140.94 109.06 5.76 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.318 1.847 . . . . 0.0 108.676 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.4 t -110.69 124.13 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.764 1.626 . . . . 0.0 109.324 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -162.32 160.53 26.8 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.315 1.046 . . . . 0.0 112.815 172.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.6 mt -52.95 148.1 8.25 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.039 0.936 . . . . 0.0 110.681 171.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 1.409 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -176.282 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.7 p -131.79 -23.83 2.24 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.699 1.599 . . . . 0.0 113.376 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 tttp -95.71 133.24 40.04 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.949 0.9 . . . . 0.0 111.646 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.0 mt -129.17 122.95 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 126.152 1.781 . . . . 0.0 109.288 -168.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -87.04 137.69 32.13 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.121 1.369 . . . . 0.0 108.032 168.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.3 t -137.37 94.35 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 123.939 0.895 . . . . 0.0 109.646 -175.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.73 -174.45 28.15 Favored Glycine 0 N--CA 1.467 0.738 0 C-N-CA 123.325 0.488 . . . . 0.0 113.334 173.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.06 14.44 73.59 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.14 0.876 . . . . 0.0 114.149 -174.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.5 mt -70.66 144.08 90.68 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 124.68 1.192 . . . . 0.0 110.106 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -70.43 144.43 50.46 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.311 2.007 . . . . 0.0 109.245 169.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.4 m-30 -63.31 -10.43 16.23 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -170.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -89.72 -1.02 57.9 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.298 1.439 . . . . 0.0 114.77 174.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.6 m -68.21 137.7 55.01 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.12 1.368 . . . . 0.0 109.38 171.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.5 p -112.44 169.59 8.77 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.75 0.82 . . . . 0.0 112.583 174.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.56 -36.83 67.25 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.618 1.167 . . . . 0.0 111.613 173.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -68.32 -43.17 78.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.28 1.432 . . . . 0.0 111.948 173.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.9 m -59.93 -47.3 86.36 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.342 1.057 . . . . 0.0 110.818 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 tp -73.11 -34.95 66.46 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -59.82 -43.99 94.24 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.641 0.655 . . . . 0.0 110.805 170.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -69.33 -37.06 77.54 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.477 0.711 . . . . 0.0 112.107 -175.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -65.66 -31.12 71.97 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 177.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -86.91 -6.52 58.75 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -176.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.77 -16.92 64.35 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.684 1.129 . . . . 0.0 113.053 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -71.75 -14.58 62.05 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.233 1.013 . . . . 0.0 113.277 175.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -99.56 -13.68 19.33 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.625 1.17 . . . . 0.0 113.411 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.64 -147.47 19.15 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.357 0.979 . . . . 0.0 113.322 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.32 129.01 34.91 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.064 0.945 . . . . 0.0 112.602 -172.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.5 mt -105.01 126.91 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.958 1.303 . . . . 0.0 109.44 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -82.25 -44.79 15.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.958 1.703 . . . . 0.0 110.309 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -165.11 150.65 9.6 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.797 2.039 . . . . 0.0 109.382 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.63 144.47 27.22 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.646 1.178 . . . . 0.0 111.273 176.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -150.44 159.09 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.261 1.424 . . . . 0.0 112.171 -173.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.0 t -123.45 134.13 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 126.213 1.805 . . . . 0.0 108.384 169.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mm -81.03 110.26 16.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 124.71 1.204 . . . . 0.0 110.689 -172.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.465 0.318 0 C-N-CA 126.268 1.827 . . . . 0.0 109.225 170.399 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 120.953 0.406 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.0 mtt-85 -92.65 3.81 54.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.15 0.98 . . . . 0.0 113.349 177.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.81 11.76 76.17 Favored Glycine 0 N--CA 1.472 1.052 0 C-N-CA 124.411 1.005 . . . . 0.0 114.247 176.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -146.37 164.79 31.3 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -155.22 -175.42 26.25 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 127.461 2.457 . . . . 0.0 112.095 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -136.03 147.94 48.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.696 1.599 . . . . 0.0 110.766 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.4 t -137.28 133.66 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.787 1.635 . . . . 0.0 108.183 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.7 m -119.6 125.35 48.56 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 82.4 mmm -97.44 145.16 26.45 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.346 1.058 . . . . 0.0 110.47 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -67.91 -20.94 65.14 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -175.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -147.65 151.23 35.82 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.37 1.468 . . . . 0.0 111.225 177.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -51.93 -38.42 56.31 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.372 1.069 . . . . 0.0 112.191 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.94 -16.95 62.69 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.8 m -84.53 -30.86 24.76 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.362 -0.836 . . . . 0.0 111.724 170.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.38 -35.04 65.85 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.937 -1.102 . . . . 0.0 112.395 171.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -57.2 -39.54 75.59 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.007 0.923 . . . . 0.0 111.638 170.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -70.88 -31.67 68.41 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.858 0.863 . . . . 0.0 112.686 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.69 -33.49 64.45 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.3 p -78.75 -4.26 48.41 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.827 1.418 . . . . 0.0 114.827 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.55 -25.72 68.2 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -132.87 108.21 12.83 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.531 1.532 . . . . 0.0 109.735 174.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.5 -13.12 16.7 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.963 2.442 . . . . 0.0 113.142 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -133.12 73.22 75.2 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 124.475 1.11 . . . . 0.0 111.819 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.11 -10.64 13.77 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 124.256 3.304 . . . . 0.0 116.15 -170.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 65.23 59.34 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 125.812 1.645 . . . . 0.0 111.265 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.7 mt -71.39 120.32 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.302 1.041 . . . . 0.0 109.886 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 t0 57.05 29.25 16.16 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.324 1.85 . . . . 0.0 113.736 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.99 28.18 14.39 Favored Glycine 0 CA--C 1.534 1.263 0 N-CA-C 115.68 1.032 . . . . 0.0 115.68 171.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -152.25 140.44 20.36 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.816 1.246 . . . . 0.0 109.649 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.35 102.58 0.42 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.521 0.728 . . . . 0.0 112.662 -174.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.97 170.68 16.2 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.566 1.146 . . . . 0.0 110.518 171.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -145.19 99.15 3.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.979 1.712 . . . . 0.0 108.306 -172.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 87.6 t -107.33 126.97 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 126.127 1.771 . . . . 0.0 110.196 -168.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -163.59 163.18 24.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.962 1.305 . . . . 0.0 112.231 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.35 150.76 14.14 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.586 -0.696 . . . . 0.0 110.661 173.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.362 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 -177.149 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.8 p -126.83 -16.56 5.15 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.953 1.301 . . . . 0.0 114.186 -173.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -91.77 121.83 33.76 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.061 1.744 . . . . 0.0 110.433 174.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 mt -126.76 123.76 63.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.456 1.503 . . . . 0.0 110.725 -167.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -86.61 134.66 33.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.804 1.642 . . . . 0.0 108.416 169.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.7 t -135.46 90.22 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.323 1.049 . . . . 0.0 109.295 -173.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.63 -173.33 30.78 Favored Glycine 0 N--CA 1.466 0.646 0 C-N-CA 124.188 0.899 . . . . 0.0 114.207 177.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.81 15.19 71.14 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.602 1.096 . . . . 0.0 114.124 -174.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.3 mt -70.9 145.08 91.33 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 124.828 1.251 . . . . 0.0 110.472 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.9 142.17 42.29 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 122.103 1.868 . . . . 0.0 108.654 168.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -61.99 -13.12 22.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -169.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -88.78 -0.66 57.54 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.405 1.482 . . . . 0.0 114.765 175.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.7 m -64.99 131.85 47.68 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.715 1.206 . . . . 0.0 109.124 172.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.3 m -106.47 168.41 9.18 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.952 0.901 . . . . 0.0 111.925 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -58.63 -40.28 82.89 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.379 -0.826 . . . . 0.0 111.897 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.04 -40.89 91.35 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.518 0.727 . . . . 0.0 112.043 174.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 m -56.4 -46.54 80.11 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.925 1.29 . . . . 0.0 110.58 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.0 tp -75.25 -34.63 61.42 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -61.87 -42.83 99.53 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.03 0.832 . . . . 0.0 111.316 171.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.29 -41.57 76.64 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.105 0.962 . . . . 0.0 111.384 -175.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -61.68 -32.75 72.96 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -86.62 -5.55 59.1 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -67.63 -18.11 64.85 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.863 1.21 . . . . 0.0 112.987 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -70.16 -15.69 62.98 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.818 0.847 . . . . 0.0 113.103 174.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -100.29 -11.87 19.98 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.706 1.202 . . . . 0.0 113.417 -177.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.16 -143.53 15.19 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 124.439 1.019 . . . . 0.0 113.525 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -94.16 136.18 34.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.017 1.327 . . . . 0.0 112.205 -169.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.4 mt -116.98 129.52 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.865 1.266 . . . . 0.0 111.071 -168.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.48 -44.71 23.84 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.457 1.503 . . . . 0.0 111.961 171.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -164.02 145.74 8.93 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.515 1.926 . . . . 0.0 108.671 -169.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.01 127.18 7.06 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.292 1.037 . . . . 0.0 110.633 173.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.8 m -154.47 158.07 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.209 1.404 . . . . 0.0 111.469 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.57 134.78 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.041 1.736 . . . . 0.0 108.823 173.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.8 mm -78.96 109.02 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.973 0.892 . . . . 0.0 109.908 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 CA--C 1.516 -0.338 0 C-N-CA 125.75 1.62 . . . . 0.0 109.148 169.14 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.0 mtt-85 -104.5 0.67 29.05 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.485 1.114 . . . . 0.0 113.579 170.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.43 14.81 81.76 Favored Glycine 0 N--CA 1.47 0.921 0 O-C-N 121.435 -0.79 . . . . 0.0 113.765 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -145.31 156.16 43.64 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.59 1.195 . . . . 0.0 113.772 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.13 -176.28 14.43 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 126.935 2.207 . . . . 0.0 112.332 175.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -126.61 147.83 49.86 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.451 1.5 . . . . 0.0 109.987 173.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.0 133.97 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 126.341 1.856 . . . . 0.0 107.436 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.0 m -126.3 134.37 51.15 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 81.9 mmm -104.15 147.09 27.84 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.406 1.082 . . . . 0.0 110.927 -172.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -68.25 -18.8 64.64 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -155.63 152.28 28.52 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.939 1.296 . . . . 0.0 111.874 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -57.25 -30.5 64.69 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.887 1.275 . . . . 0.0 112.689 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.53 -17.0 63.55 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 175.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.3 m -92.43 -34.89 13.95 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.97 -1.081 . . . . 0.0 111.161 169.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.78 73.45 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.68 -37.71 88.36 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.764 0.711 . . . . 0.0 111.967 175.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -70.78 -35.3 72.52 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.439 1.096 . . . . 0.0 112.138 172.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.97 -38.61 79.47 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.8 p -79.83 -8.04 59.05 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.915 1.079 . . . . 0.0 113.915 176.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -60.95 -32.63 72.15 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.364 1.466 . . . . 0.0 113.779 -175.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -113.48 110.62 50.04 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.456 1.503 . . . . 0.0 109.492 172.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.84 -16.34 14.55 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.898 2.399 . . . . 0.0 113.147 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -138.17 76.27 38.87 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.177 1.391 . . . . 0.0 111.288 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.92 -11.15 13.87 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.955 3.103 . . . . 0.0 115.932 -169.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.9 mm 66.46 57.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 125.358 1.463 . . . . 0.0 111.43 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.5 mt -70.52 119.37 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.339 1.056 . . . . 0.0 110.233 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.62 21.73 11.59 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.947 2.099 . . . . 0.0 114.312 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.21 28.25 10.03 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.507 1.051 . . . . 0.0 115.15 174.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -147.77 138.33 23.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.43 1.492 . . . . 0.0 109.448 178.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.26 104.16 0.46 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.516 0.674 . . . . 0.0 112.382 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.53 170.44 16.34 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.686 1.195 . . . . 0.0 110.073 169.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -140.95 115.99 9.83 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.136 1.775 . . . . 0.0 108.739 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.7 t -113.39 126.7 70.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.998 1.319 . . . . 0.0 109.821 -171.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -159.99 161.24 34.06 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.894 1.277 . . . . 0.0 112.093 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.97 154.03 27.66 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.212 -0.93 . . . . 0.0 110.803 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -176.906 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.8 p -135.77 -21.29 1.49 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.546 1.138 . . . . 0.0 114.07 -177.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -86.92 129.96 34.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.306 1.443 . . . . 0.0 110.546 171.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.7 mt -129.5 119.22 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 126.053 1.741 . . . . 0.0 109.269 -169.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -81.98 137.34 35.15 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.662 1.185 . . . . 0.0 108.019 168.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.7 t -135.39 92.23 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.614 0.766 . . . . 0.0 109.463 -178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.97 -175.74 27.94 Favored Glycine 0 N--CA 1.469 0.89 0 C-N-CA 123.067 0.365 . . . . 0.0 113.452 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.27 19.73 70.66 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 123.737 0.684 . . . . 0.0 113.631 -174.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.5 mt -73.98 145.02 83.18 Favored Pre-proline 0 C--O 1.24 0.562 0 C-N-CA 124.499 1.12 . . . . 0.0 109.919 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -69.76 145.13 56.21 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.181 1.921 . . . . 0.0 109.263 169.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -62.58 -11.7 18.33 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -170.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -90.47 2.03 56.09 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.385 1.474 . . . . 0.0 114.835 175.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.6 m -71.06 135.53 47.8 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.072 1.349 . . . . 0.0 109.741 173.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.6 m -111.96 168.87 9.25 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.41 1.084 . . . . 0.0 111.989 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -52.86 -36.01 58.43 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.703 1.201 . . . . 0.0 112.869 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -76.3 -40.4 51.71 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.3 1.04 . . . . 0.0 111.928 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -54.83 -43.95 73.44 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.61 1.164 . . . . 0.0 110.558 174.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.1 tp -74.85 -40.19 61.14 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -59.62 -41.3 90.1 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.708 0.685 . . . . 0.0 111.399 173.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.07 -34.36 73.1 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.4 1.08 . . . . 0.0 111.67 -175.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -70.16 -33.16 71.42 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.404 -0.81 . . . . 0.0 112.887 173.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -80.58 -8.85 59.74 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -175.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.11 -16.93 64.37 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.527 1.058 . . . . 0.0 113.175 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -72.7 -21.89 60.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.031 0.932 . . . . 0.0 113.35 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -89.64 -20.73 23.33 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.208 1.003 . . . . 0.0 113.048 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.5 -144.66 15.11 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.06 1.314 . . . . 0.0 112.909 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -87.55 124.9 33.97 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.076 0.95 . . . . 0.0 112.212 -170.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.0 mt -99.96 128.04 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.689 1.196 . . . . 0.0 109.922 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -90.62 -36.45 14.4 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.687 1.595 . . . . 0.0 111.712 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -166.62 152.19 8.18 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.654 1.982 . . . . 0.0 109.342 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.69 140.15 18.73 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.529 1.131 . . . . 0.0 111.225 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.7 m -151.04 159.14 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.848 1.659 . . . . 0.0 111.375 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.6 t -126.66 133.34 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.345 1.458 . . . . 0.0 107.782 169.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.413 HG13 ' CE2' ' A' ' 78' ' ' TYR . 49.2 mm -76.11 116.18 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 123.641 0.776 . . . . 0.0 110.5 -171.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.468 0.46 0 C-N-CA 126.568 1.947 . . . . 0.0 108.743 172.507 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 120.92 0.39 . . . . 0.0 111.702 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -84.98 -5.01 59.36 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.23 4.42 88.17 Favored Glycine 0 N--CA 1.474 1.226 0 C-N-CA 124.681 1.134 . . . . 0.0 114.163 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.413 ' CE2' HG13 ' A' ' 67' ' ' ILE . 27.7 p90 -146.7 162.94 37.45 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.236 1.414 . . . . 0.0 114.119 177.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.66 -172.7 13.07 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 127.246 2.355 . . . . 0.0 112.315 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -135.28 146.83 48.92 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.73 1.612 . . . . 0.0 110.726 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.8 t -134.7 140.37 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.307 1.443 . . . . 0.0 108.345 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.7 m -121.27 132.0 54.55 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 172.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 88.6 mmm -104.07 145.25 30.45 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.217 1.007 . . . . 0.0 110.774 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -67.46 -17.47 64.71 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -147.34 145.49 29.33 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.241 1.816 . . . . 0.0 110.884 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -57.77 -33.07 68.12 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.615 1.566 . . . . 0.0 112.166 174.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.59 -19.42 64.45 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.426 1.091 . . . . 0.0 113.894 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.6 m -89.09 -33.5 17.08 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.337 -0.852 . . . . 0.0 111.778 170.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.29 -36.1 71.54 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.18 -0.95 . . . . 0.0 113.531 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.95 -41.09 97.59 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.531 0.605 . . . . 0.0 111.397 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.7 mtp-105 -63.18 -27.94 69.71 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.949 0.9 . . . . 0.0 112.935 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.11 -48.76 19.48 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.713 0.805 . . . . 0.0 112.076 174.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.9 p -69.86 -19.2 63.45 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -177.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -66.33 -18.23 65.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.142 1.377 . . . . 0.0 114.684 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -121.63 82.27 40.82 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 126.114 1.766 . . . . 0.0 109.514 174.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.47 -22.27 14.18 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.149 2.566 . . . . 0.0 114.194 -169.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -122.34 75.84 43.01 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 124.222 1.009 . . . . 0.0 111.632 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.9 -14.68 12.29 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 124.018 3.146 . . . . 0.0 115.808 -174.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.9 mm 64.58 55.55 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 125.608 1.563 . . . . 0.0 111.017 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.95 118.73 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.122 -0.986 . . . . 0.0 109.808 -175.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.12 23.11 9.76 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.544 1.938 . . . . 0.0 114.182 177.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.36 32.56 6.3 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.652 1.12 . . . . 0.0 115.745 171.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.28 137.24 18.18 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.812 1.306 . . . . 0.0 109.068 175.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -62.11 102.99 0.33 Allowed 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.753 -0.592 . . . . 0.0 112.332 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.55 171.24 15.4 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.861 1.264 . . . . 0.0 111.731 173.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -137.19 95.05 3.02 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.848 2.059 . . . . 0.0 108.499 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.4 t -96.6 123.57 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.52 1.528 . . . . 0.0 109.206 -178.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -159.22 160.82 35.82 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.966 0.906 . . . . 0.0 112.988 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.05 142.43 42.22 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 169.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.563 1.449 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -175.858 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 . . . . . 0 CA--C 1.541 0.625 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.1 p -138.24 -17.95 1.16 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.164 1.386 . . . . 0.0 114.341 -172.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -89.46 124.64 34.67 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.542 1.537 . . . . 0.0 110.62 175.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.8 mt -126.37 120.66 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.362 1.465 . . . . 0.0 109.755 -169.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -82.82 138.39 33.98 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.253 1.421 . . . . 0.0 108.698 169.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.5 t -136.15 90.93 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.13 0.972 . . . . 0.0 109.617 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.46 -176.12 35.74 Favored Glycine 0 N--CA 1.47 0.92 0 C-N-CA 123.444 0.545 . . . . 0.0 112.999 175.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.9 15.03 71.19 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.18 0.895 . . . . 0.0 114.082 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.44 145.06 87.32 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 124.682 1.193 . . . . 0.0 110.057 175.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -70.02 143.29 49.15 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.18 1.92 . . . . 0.0 109.051 169.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -61.23 -13.54 19.24 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.505 1.669 . . . . 0.0 115.505 -169.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -89.74 -0.14 57.35 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.36 1.464 . . . . 0.0 114.793 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -68.15 130.04 41.74 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.742 1.217 . . . . 0.0 109.426 174.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -96.77 165.41 12.13 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.971 0.891 . . . . 0.0 112.392 173.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -55.1 -33.04 62.49 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.407 1.083 . . . . 0.0 112.743 170.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -80.9 -34.19 33.66 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.452 -0.785 . . . . 0.0 112.454 175.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.3 m -59.2 -42.28 90.53 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 119.381 0.991 . . . . 0.0 110.283 174.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 tp -70.93 -39.93 72.38 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.188 0.595 . . . . 0.0 112.57 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -60.86 -38.29 85.06 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.717 -0.615 . . . . 0.0 111.787 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -72.81 -16.8 61.61 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.8 1.24 . . . . 0.0 112.96 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -87.98 -43.16 11.95 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.948 0.794 . . . . 0.0 111.992 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -76.89 -15.91 59.55 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -7.27 41.42 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.61 -18.7 61.02 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.622 0.769 . . . . 0.0 112.824 169.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -93.93 -14.22 26.24 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.693 1.197 . . . . 0.0 113.34 -175.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.37 -146.6 18.41 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 124.639 1.114 . . . . 0.0 113.008 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -88.18 123.11 32.49 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.189 0.996 . . . . 0.0 112.16 -170.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.4 mt -93.04 132.9 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.353 1.061 . . . . 0.0 109.982 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -97.15 -32.43 11.95 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.02 2.128 . . . . 0.0 112.113 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -161.06 147.47 14.8 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.979 2.112 . . . . 0.0 108.403 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.21 135.88 18.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.376 1.07 . . . . 0.0 110.553 173.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.3 m -152.85 160.31 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.326 1.45 . . . . 0.0 111.9 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.6 t -129.06 128.74 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 167.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.406 HG13 ' CE1' ' A' ' 78' ' ' TYR . 48.3 mm -77.99 111.64 15.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 124.065 0.946 . . . . 0.0 110.728 -169.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.465 0.31 0 C-N-CA 126.638 1.975 . . . . 0.0 109.26 175.266 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 N--CA 1.472 0.633 0 CA-C-O 121.046 0.45 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -80.26 -10.14 59.75 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 170.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.17 9.5 86.54 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 123.838 0.732 . . . . 0.0 113.578 -171.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.406 ' CE1' HG13 ' A' ' 67' ' ' ILE . 9.6 p90 -137.52 158.15 45.01 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.707 1.254 . . . . 0.0 114.043 174.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.28 -171.79 13.32 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 127.355 2.407 . . . . 0.0 112.377 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -135.42 150.95 50.0 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.546 1.538 . . . . 0.0 110.89 175.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.6 t -138.13 129.53 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.38 1.472 . . . . 0.0 107.885 169.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.5 m -112.96 133.61 54.85 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 174.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 82.4 mmm -102.59 142.4 33.83 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.353 1.061 . . . . 0.0 110.408 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -64.22 -19.25 65.23 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -154.22 152.43 30.32 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.966 1.306 . . . . 0.0 112.235 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -57.46 -29.48 64.25 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.629 1.171 . . . . 0.0 113.276 178.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.16 -25.53 65.31 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.732 1.151 . . . . 0.0 113.379 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.1 m -84.86 -34.96 22.52 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.631 -0.668 . . . . 0.0 111.43 171.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.97 82.07 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.207 -0.933 . . . . 0.0 113.036 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -60.48 -34.77 74.52 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.247 1.019 . . . . 0.0 112.644 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -72.72 -38.04 67.58 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.141 0.576 . . . . 0.0 111.73 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.11 -39.88 63.06 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.7 p -74.19 -14.9 61.01 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -18.63 59.83 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -169.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -112.04 104.94 56.4 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 125.252 1.421 . . . . 0.0 109.07 169.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.26 -17.81 12.98 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.923 2.415 . . . . 0.0 113.106 -176.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -136.88 77.51 43.93 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.742 1.217 . . . . 0.0 111.825 -175.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.73 -13.84 14.35 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 124.099 3.199 . . . . 0.0 115.892 -174.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.4 mm 64.59 54.97 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 125.605 1.562 . . . . 0.0 111.33 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -69.87 120.68 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.323 1.049 . . . . 0.0 110.343 -174.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.22 21.81 9.98 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.848 2.059 . . . . 0.0 114.129 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.32 28.9 8.75 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.595 1.093 . . . . 0.0 115.438 173.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -150.0 139.35 21.37 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.071 1.348 . . . . 0.0 109.831 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -64.69 102.82 0.61 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.475 0.655 . . . . 0.0 112.418 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.42 163.44 24.79 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.665 1.186 . . . . 0.0 110.338 169.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -132.91 106.17 7.54 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.674 1.59 . . . . 0.0 108.393 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.5 t -108.61 125.78 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.318 1.447 . . . . 0.0 110.273 -169.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -166.04 163.88 18.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.958 1.303 . . . . 0.0 112.507 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.6 mt -55.87 152.21 10.32 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.745 0.818 . . . . 0.0 111.277 174.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.277 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 . . . . . 0 CA--C 1.544 0.725 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.05 -22.8 2.53 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.914 1.286 . . . . 0.0 113.786 177.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -88.65 133.05 34.31 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.97 1.308 . . . . 0.0 111.37 172.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.8 mt -130.57 120.76 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 126.609 1.964 . . . . 0.0 109.228 -169.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -84.43 137.93 33.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.749 1.219 . . . . 0.0 108.36 168.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.9 t -137.52 90.86 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.02 0.928 . . . . 0.0 109.701 -176.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.88 -176.02 30.74 Favored Glycine 0 N--CA 1.47 0.94 0 C-N-CA 122.981 0.324 . . . . 0.0 113.187 174.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.85 16.94 76.52 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.778 0.704 . . . . 0.0 113.835 -176.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.2 mt -73.96 147.36 86.09 Favored Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 125.106 1.362 . . . . 0.0 109.548 172.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.52 151.86 53.54 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.03 1.82 . . . . 0.0 109.368 169.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -64.11 -11.02 26.12 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -171.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -92.32 -5.24 52.63 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.4 m -66.9 139.87 57.75 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.951 1.301 . . . . 0.0 110.291 174.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.2 m -115.5 168.52 9.92 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.229 1.012 . . . . 0.0 112.411 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -57.87 -35.88 71.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.51 1.124 . . . . 0.0 113.063 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -69.91 -40.65 75.45 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.781 -0.575 . . . . 0.0 111.613 174.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.9 m -57.85 -44.71 86.71 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.235 1.414 . . . . 0.0 110.606 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.0 tp -73.92 -36.21 64.69 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -60.0 -42.84 95.13 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.747 0.703 . . . . 0.0 111.113 171.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.32 -41.11 85.81 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.114 0.965 . . . . 0.0 111.73 -176.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -65.87 -32.44 73.96 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -83.17 -7.24 59.65 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -175.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -66.56 -17.99 65.12 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.727 1.149 . . . . 0.0 113.019 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -71.23 -16.86 62.52 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.01 0.924 . . . . 0.0 113.363 174.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -96.89 -12.85 22.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.601 1.16 . . . . 0.0 112.961 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.69 -160.28 23.97 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.6 1.571 . . . . 0.0 112.824 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -76.93 139.38 40.16 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.334 1.454 . . . . 0.0 112.251 -175.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.6 mt -116.96 130.65 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.341 1.456 . . . . 0.0 110.473 -168.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.75 -47.91 28.48 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.879 1.272 . . . . 0.0 111.204 173.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -168.91 151.39 4.89 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.532 1.933 . . . . 0.0 109.168 -172.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.77 146.37 30.25 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.827 1.251 . . . . 0.0 110.558 172.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.5 m -150.04 157.22 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.804 1.642 . . . . 0.0 111.203 -173.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.9 t -125.55 131.93 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.186 1.394 . . . . 0.0 107.487 169.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.403 HG13 ' CE2' ' A' ' 78' ' ' TYR . 50.3 mm -77.64 111.73 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 123.818 0.847 . . . . 0.0 110.775 -169.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.47 0.532 0 C-N-CA 126.726 2.01 . . . . 0.0 108.577 171.528 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -82.69 -10.34 58.96 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.83 9.57 82.59 Favored Glycine 0 N--CA 1.473 1.151 0 C-N-CA 123.996 0.808 . . . . 0.0 113.717 -173.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.403 ' CE2' HG13 ' A' ' 67' ' ' ILE . 8.6 p90 -142.63 161.32 38.38 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.632 1.173 . . . . 0.0 114.075 175.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.56 -172.3 15.04 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 127.39 2.424 . . . . 0.0 112.607 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -136.48 149.6 48.27 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.183 1.793 . . . . 0.0 110.759 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.5 t -137.72 142.17 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 126.018 1.727 . . . . 0.0 108.43 174.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.9 m -127.31 135.67 50.87 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.86 0.864 . . . . 0.0 108.994 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 90.3 mmm -102.47 142.89 32.92 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.435 1.094 . . . . 0.0 111.574 -173.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -69.76 -19.75 63.51 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.917 1.081 . . . . 0.0 113.917 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -136.66 145.32 44.67 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.363 1.465 . . . . 0.0 111.031 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -67.05 -35.18 79.3 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.276 1.03 . . . . 0.0 112.743 -171.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.59 -30.04 69.55 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 173.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 m -68.55 -29.92 68.59 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.751 -1.218 . . . . 0.0 112.589 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.24 -30.73 66.69 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.308 -0.87 . . . . 0.0 112.16 169.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.08 -26.91 63.26 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.9 mtt85 -70.14 -33.5 71.87 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.336 -0.852 . . . . 0.0 111.435 170.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.23 -48.28 29.88 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.043 0.937 . . . . 0.0 112.932 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.4 p -70.87 -16.32 62.69 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm -68.35 -15.83 63.71 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 173.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -119.82 88.4 39.87 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 124.761 1.225 . . . . 0.0 109.638 169.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -76.89 -20.87 12.91 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.352 2.701 . . . . 0.0 113.093 -174.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -128.68 73.08 81.13 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.59 1.156 . . . . 0.0 112.093 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.36 -11.75 10.61 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 124.512 3.475 . . . . 0.0 115.798 -173.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 mm 64.55 55.88 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 125.776 1.63 . . . . 0.0 111.148 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.3 mt -70.0 123.68 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.052 -1.03 . . . . 0.0 109.508 -177.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 t0 64.65 13.6 8.44 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.684 1.594 . . . . 0.0 113.666 171.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.24 36.22 5.25 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.554 1.55 . . . . 0.0 115.205 176.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -152.9 144.2 23.22 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.437 1.118 . . . . 0.0 109.407 169.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -62.99 96.05 0.09 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.404 0.682 . . . . 0.0 111.849 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.06 164.79 25.53 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.169 0.988 . . . . 0.0 111.013 174.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -134.47 92.84 2.97 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.924 1.69 . . . . 0.0 107.817 -176.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.2 t -100.53 124.33 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.736 1.614 . . . . 0.0 109.59 -170.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -164.56 159.71 19.49 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.318 1.047 . . . . 0.0 112.667 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.3 mt -52.59 146.11 10.62 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.6 0.76 . . . . 0.0 110.189 169.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.348 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -176.559 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.3 p -133.78 -20.21 2.01 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.535 1.134 . . . . 0.0 113.923 -176.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -88.34 134.18 33.89 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.476 1.131 . . . . 0.0 111.159 169.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.0 mt -126.69 122.68 61.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 127.133 2.173 . . . . 0.0 108.121 -168.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -77.91 135.47 37.88 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.963 1.305 . . . . 0.0 108.416 168.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 t -135.53 78.66 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 124.286 1.034 . . . . 0.0 109.297 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.34 177.5 50.38 Favored Glycine 0 N--CA 1.466 0.641 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.38 169.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.39 22.99 66.34 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.782 1.182 . . . . 0.0 113.986 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.5 mt -80.97 151.15 70.11 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 125.314 1.446 . . . . 0.0 110.725 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.22 143.28 31.67 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.033 1.822 . . . . 0.0 108.322 167.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.09 -12.33 18.7 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -169.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -91.15 1.12 57.33 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.487 1.515 . . . . 0.0 114.803 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.4 m -66.69 135.01 53.4 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.812 1.245 . . . . 0.0 109.401 171.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.9 m -109.9 168.7 9.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.977 0.911 . . . . 0.0 112.086 175.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.94 -38.48 72.98 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.623 1.169 . . . . 0.0 112.315 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -72.92 -36.25 67.21 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.884 0.874 . . . . 0.0 112.31 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 m -57.81 -41.08 81.43 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.928 1.291 . . . . 0.0 110.801 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 tp -73.04 -40.43 65.13 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.608 0.763 . . . . 0.0 112.502 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -59.63 -38.2 80.72 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.701 -0.624 . . . . 0.0 111.715 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -72.12 -14.46 61.84 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.974 1.31 . . . . 0.0 113.266 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -91.23 -41.22 11.09 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.232 0.924 . . . . 0.0 112.555 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.08 -14.19 59.3 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -174.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -6.96 40.97 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -179.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -76.54 -17.32 59.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.873 0.869 . . . . 0.0 112.95 170.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -95.5 -14.66 23.49 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.626 1.17 . . . . 0.0 113.456 -175.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.98 -146.76 18.23 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.641 1.115 . . . . 0.0 112.723 -178.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -89.34 123.48 33.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.065 0.946 . . . . 0.0 112.292 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.8 mt -95.68 128.3 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.404 1.082 . . . . 0.0 109.692 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -81.28 -45.92 15.52 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.075 1.75 . . . . 0.0 110.282 174.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -164.75 148.62 9.02 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.694 1.997 . . . . 0.0 109.584 177.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.49 142.54 32.29 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.644 1.178 . . . . 0.0 110.954 176.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.3 m -148.86 157.06 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.945 1.298 . . . . 0.0 112.277 -173.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.4 t -120.47 134.48 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.921 1.689 . . . . 0.0 107.87 169.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 30.6 mm -84.69 99.47 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.533 1.133 . . . . 0.0 109.93 -169.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.474 0.766 0 C-N-CA 127.731 2.413 . . . . 0.0 109.747 -178.123 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.474 0.739 0 CA-C-O 120.856 0.36 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -89.31 2.41 54.39 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.972 0.909 . . . . 0.0 113.232 173.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.8 8.92 83.68 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 124.56 1.076 . . . . 0.0 113.984 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -138.57 155.56 48.25 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.56 -179.11 16.89 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 127.486 2.47 . . . . 0.0 112.12 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -136.13 145.86 46.32 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.456 1.502 . . . . 0.0 110.19 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.0 t -134.81 125.88 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.787 1.235 . . . . 0.0 109.054 176.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.6 m -106.98 125.78 51.45 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.383 1.073 . . . . 0.0 108.493 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 80.3 mmm -95.0 151.04 19.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.895 1.278 . . . . 0.0 110.3 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -72.75 -17.1 61.63 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -156.22 153.64 29.5 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.172 1.389 . . . . 0.0 112.216 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -57.46 -28.69 63.58 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.387 1.075 . . . . 0.0 113.286 178.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.05 -24.92 63.34 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.2 m -84.73 -33.75 23.03 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.427 -0.796 . . . . 0.0 111.291 169.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.69 -34.77 74.39 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.17 -42.61 88.68 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.907 0.776 . . . . 0.0 111.056 175.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -61.04 -31.48 71.12 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.385 1.074 . . . . 0.0 111.864 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.59 -12.09 60.0 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.2 p -108.97 -0.84 19.39 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -60.12 -28.59 67.99 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -122.54 111.37 31.56 Favored Pre-proline 0 CA--C 1.547 0.827 0 C-N-CA 126.128 1.771 . . . . 0.0 109.389 170.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -79.85 -12.38 13.48 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.136 2.558 . . . . 0.0 113.489 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -132.48 71.01 79.49 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 124.928 1.291 . . . . 0.0 112.218 -178.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -79.41 -11.53 14.4 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 124.376 3.384 . . . . 0.0 116.561 -171.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.3 mm 64.86 60.49 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 125.969 1.707 . . . . 0.0 111.449 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.0 mt -71.76 117.28 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.095 -1.003 . . . . 0.0 110.165 -176.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 t70 61.27 15.92 6.86 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.028 2.131 . . . . 0.0 114.796 174.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.24 34.52 3.64 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.081 1.324 . . . . 0.0 115.619 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -154.04 141.77 20.0 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.843 1.257 . . . . 0.0 109.606 172.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -66.62 103.03 0.99 Allowed 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.713 -0.617 . . . . 0.0 111.857 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.1 161.75 29.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.27 1.028 . . . . 0.0 111.105 175.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -127.33 110.58 12.96 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.157 1.383 . . . . 0.0 108.361 171.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 58.2 t -113.95 122.67 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.865 1.266 . . . . 0.0 110.38 -169.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -165.76 163.67 18.9 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.897 1.679 . . . . 0.0 111.615 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.7 mt -56.26 146.26 24.24 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.436 0.694 . . . . 0.0 111.314 174.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 1.228 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -178.851 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.474 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -144.84 -19.97 0.51 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.792 1.237 . . . . 0.0 114.289 -170.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p -141.4 -179.09 5.93 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.915 1.286 . . . . 0.0 111.557 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -86.09 0.94 52.26 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.955 1.302 . . . . 0.0 113.73 171.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.99 28.99 1.09 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.604 1.562 . . . . 0.0 112.918 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -164.88 158.27 14.48 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 127.536 2.334 . . . . 0.0 109.17 -169.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.96 68.78 4.78 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.575 2.85 . . . . 0.0 111.454 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.0 -4.92 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 126.052 1.741 . . . . 0.0 113.483 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 m -149.18 155.94 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 128.14 2.576 . . . . 0.0 109.206 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.64 -175.81 27.09 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 123.883 0.754 . . . . 0.0 114.734 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.9 p -79.4 -5.35 54.44 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 73.9 -2.79 2.68 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.786 2.434 . . . . 0.0 114.888 174.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -153.19 135.05 14.62 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.766 1.626 . . . . 0.0 110.526 -177.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.3 p 68.21 -44.0 0.49 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 129.141 2.976 . . . . 0.0 112.888 -169.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 54.4 ttm -58.61 -23.23 58.44 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.382 1.073 . . . . 0.0 113.063 173.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -121.37 8.34 10.21 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.374 1.469 . . . . 0.0 113.7 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.8 p -141.38 -20.05 0.77 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -99.33 128.18 45.42 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.101 1.36 . . . . 0.0 110.451 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.0 mt -125.41 119.63 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.514 1.526 . . . . 0.0 109.803 -168.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -81.56 137.07 35.58 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 167.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -134.83 92.27 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 123.961 0.904 . . . . 0.0 109.45 -176.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.53 -175.26 31.18 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.389 0.519 . . . . 0.0 113.375 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.09 17.52 71.96 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.347 0.975 . . . . 0.0 114.24 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.25 151.28 92.22 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 125.118 1.367 . . . . 0.0 110.64 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.22 141.9 36.69 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 121.958 1.772 . . . . 0.0 108.47 168.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -62.87 -11.77 20.49 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.948 1.833 . . . . 0.0 115.948 -168.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -87.39 -3.1 59.01 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -66.73 133.97 51.27 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.018 1.327 . . . . 0.0 109.97 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.2 m -110.71 169.49 8.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.387 1.075 . . . . 0.0 111.816 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -56.11 -37.1 68.95 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.32 1.048 . . . . 0.0 112.92 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -71.85 -36.97 70.32 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 173.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.2 m -59.84 -42.04 92.71 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.079 1.352 . . . . 0.0 110.434 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.0 tp -73.19 -40.46 64.75 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.82 0.848 . . . . 0.0 112.441 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.36 -37.26 82.71 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.61 -0.682 . . . . 0.0 111.971 174.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -72.91 -13.29 61.23 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.927 1.291 . . . . 0.0 112.848 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -95.16 -40.72 9.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.913 0.779 . . . . 0.0 112.615 171.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -75.47 -14.11 60.41 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -7.24 37.76 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -76.95 -19.05 57.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.844 0.857 . . . . 0.0 113.032 170.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -93.44 -13.12 28.33 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.377 1.071 . . . . 0.0 113.08 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.55 -147.22 19.11 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 125.224 1.392 . . . . 0.0 112.856 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -87.55 121.5 30.07 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.888 0.875 . . . . 0.0 112.522 -169.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.6 mt -92.14 129.25 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.496 1.118 . . . . 0.0 109.898 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -83.27 -44.83 14.51 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.852 1.661 . . . . 0.0 110.454 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -164.15 151.05 11.61 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.398 1.879 . . . . 0.0 109.696 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.13 146.46 32.78 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.941 1.296 . . . . 0.0 111.099 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.9 m -151.99 160.8 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.988 1.715 . . . . 0.0 111.536 -174.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.5 t -130.06 134.57 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.434 1.494 . . . . 0.0 107.932 169.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 36.3 mm -80.89 111.42 17.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 C-N-CA 123.598 0.759 . . . . 0.0 111.38 -169.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.5 p -123.23 133.62 54.19 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.989 2.116 . . . . 0.0 108.907 171.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.03 141.08 47.04 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -173.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -55.14 -23.93 23.71 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 116.411 2.004 . . . . 0.0 116.411 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -135.65 -17.18 1.73 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -174.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.2 p -108.33 -16.25 14.28 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.553 1.141 . . . . 0.0 113.688 171.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 58.8 17.11 4.95 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.187 1.795 . . . . 0.0 113.409 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 132.43 46.87 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.194 0.997 . . . . 0.0 110.911 176.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.2 m -78.32 125.99 30.15 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.279 1.032 . . . . 0.0 110.793 -177.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 -82.82 -0.12 46.52 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.16 4.76 83.78 Favored Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.893 1.235 . . . . 0.0 114.194 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -143.21 160.68 40.0 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.76 -169.92 12.21 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 127.289 2.376 . . . . 0.0 112.371 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -137.11 150.1 47.77 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.465 1.506 . . . . 0.0 111.259 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.48 132.55 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.43 1.492 . . . . 0.0 108.402 172.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.6 m -113.98 133.03 55.75 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 172.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.0 mmm -103.24 148.17 26.14 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.502 1.121 . . . . 0.0 110.824 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -70.17 -16.03 63.03 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -154.89 152.01 29.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.247 1.419 . . . . 0.0 111.55 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 53.3 mtt85 -55.68 -33.01 63.75 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.21 1.404 . . . . 0.0 112.231 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.59 -18.66 64.37 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.539 1.136 . . . . 0.0 113.818 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.2 m -91.47 -29.91 16.76 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.039 -1.038 . . . . 0.0 112.169 171.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.87 -34.37 60.02 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.122 -0.986 . . . . 0.0 113.266 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.38 -38.15 90.04 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.626 0.648 . . . . 0.0 112.458 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -67.82 -26.97 66.33 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.667 1.187 . . . . 0.0 112.592 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.44 -51.0 11.51 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.784 0.834 . . . . 0.0 111.75 173.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.5 p -67.35 -19.21 65.41 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -64.33 -13.92 53.13 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 170.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -122.04 92.89 48.81 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 124.848 1.259 . . . . 0.0 109.695 169.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -75.98 -22.1 13.46 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.338 2.692 . . . . 0.0 113.146 -173.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -132.97 75.08 72.91 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.501 1.12 . . . . 0.0 112.003 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -81.1 -12.84 11.64 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 124.291 3.327 . . . . 0.0 116.191 -172.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 65.08 56.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 125.836 1.655 . . . . 0.0 111.401 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.66 119.2 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.104 -0.998 . . . . 0.0 110.276 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.48 19.07 6.19 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.641 1.976 . . . . 0.0 114.704 175.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.21 34.88 4.66 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.969 1.271 . . . . 0.0 115.515 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -152.66 142.27 21.84 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 118.755 1.277 . . . . 0.0 110.49 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -65.77 99.54 0.47 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.82 0.819 . . . . 0.0 112.072 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.94 169.09 18.75 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.739 1.216 . . . . 0.0 111.437 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -139.6 96.32 3.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.352 1.861 . . . . 0.0 108.815 -172.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 80.2 t -100.51 124.7 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.279 1.432 . . . . 0.0 109.354 -172.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -156.9 149.85 23.79 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.74 0.816 . . . . 0.0 113.0 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.8 mt -64.43 118.76 9.22 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.693 0.797 . . . . 0.0 108.918 170.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -24.33 -72.36 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 117.449 2.388 . . . . 0.0 117.449 -169.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -34.37 0.53 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.827 1 N-CA-C 123.73 4.715 . . . . 0.0 123.73 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.2 mt -83.53 -65.96 0.95 Allowed 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 124.921 3.509 . . . . 0.0 111.451 -169.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -91.51 15.77 60.63 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.689 1.614 . . . . 0.0 113.037 170.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.94 124.54 21.35 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.106 1.363 . . . . 0.0 112.592 -175.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -92.93 145.86 30.95 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.343 1.457 . . . . 0.0 112.708 -176.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -75.54 142.31 26.13 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.168 2.579 . . . . 0.0 110.908 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -143.08 123.27 13.72 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.445 1.498 . . . . 0.0 109.786 173.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.5 p -80.24 -5.96 57.04 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.518 1.527 . . . . 0.0 113.923 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -70.24 -14.0 62.42 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -174.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 57.6 t -142.05 125.91 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 126.382 1.873 . . . . 0.0 108.133 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 . . . . . 0 C--O 1.254 1.295 0 C-N-CA 125.821 1.648 . . . . 0.0 111.511 -172.766 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 1 C3'-C2'-C1' 105.462 4.402 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 P-O3'-C3' 123.393 3.078 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 O4'-C1'-N19 112.032 3.832 . 0.196 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.444 HO2' ' P ' ' B' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 O4'-C1'-N19 111.293 3.093 . 0.671 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . 0.444 ' P ' HO2' ' B' ' 10' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.544 2.586 0 C3'-C2'-C1' 104.464 3.293 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 O4'-C1'-N19 110.805 2.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 111.884 -0.486 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -162.73 167.63 22.73 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.385 1.474 . . . . 0.0 111.116 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.4 m -69.02 126.6 30.31 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.207 1.403 . . . . 0.0 110.595 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -162.4 146.06 11.7 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.531 1.533 . . . . 0.0 111.103 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.65 115.48 10.89 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.013 0.925 . . . . 0.0 110.897 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -164.35 137.61 4.04 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 125.566 1.546 . . . . 0.0 109.413 -175.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -61.75 18.03 0.05 OUTLIER 'Trans proline' 0 CA--C 1.547 1.175 0 C-N-CA 125.067 3.845 . . . . 0.0 117.651 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t 55.29 40.27 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.691 1.596 . . . . 0.0 111.055 -176.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.26 20.3 m 54.53 12.85 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 128.704 2.802 . . . . 0.0 115.39 -172.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.52 -7.82 85.73 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.299 1.428 . . . . 0.0 114.822 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.4 m -144.92 135.78 24.7 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.433 1.493 . . . . 0.0 110.786 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -163.93 145.47 8.95 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.243 1.817 . . . . 0.0 110.147 -175.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -157.49 158.56 35.96 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.354 1.462 . . . . 0.0 111.573 -174.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.6 p -61.47 -23.88 66.18 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 126.584 1.954 . . . . 0.0 113.396 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 57.4 ttm -53.79 -21.45 7.44 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.504 1.122 . . . . 0.0 113.177 169.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -116.85 0.81 12.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.311 1.444 . . . . 0.0 113.956 -176.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.2 p -140.28 -23.17 0.82 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.75 125.69 35.39 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.659 1.184 . . . . 0.0 110.712 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.1 mt -121.5 120.52 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 126.139 1.776 . . . . 0.0 108.724 -170.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -80.55 137.7 36.43 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.136 1.374 . . . . 0.0 108.723 169.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.6 t -137.98 93.75 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.063 0.945 . . . . 0.0 109.633 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.2 -175.42 25.36 Favored Glycine 0 N--CA 1.47 0.921 0 C-N-CA 123.212 0.434 . . . . 0.0 113.612 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.71 17.36 73.0 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 123.96 0.79 . . . . 0.0 113.604 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.07 146.6 90.16 Favored Pre-proline 0 CA--C 1.541 0.628 0 C-N-CA 124.87 1.268 . . . . 0.0 110.344 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.14 142.81 42.76 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.23 1.953 . . . . 0.0 109.023 169.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -62.41 -11.98 18.89 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 -169.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -89.75 -0.66 57.68 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.446 1.498 . . . . 0.0 114.807 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.5 m -67.84 137.54 55.4 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.166 1.387 . . . . 0.0 109.734 173.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.0 p -111.56 169.43 8.82 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.965 0.906 . . . . 0.0 112.308 171.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -58.72 -29.38 66.65 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.37 -0.831 . . . . 0.0 112.702 171.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -72.0 -45.85 59.42 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.888 0.875 . . . . 0.0 111.268 171.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.2 m -56.0 -44.43 78.62 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.814 1.246 . . . . 0.0 110.939 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.8 tp -73.7 -39.51 64.3 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.736 0.815 . . . . 0.0 112.577 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -60.38 -38.93 85.47 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.551 -0.718 . . . . 0.0 111.463 172.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -71.91 -16.03 62.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.299 1.04 . . . . 0.0 113.253 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -87.39 -42.25 12.98 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.252 0.933 . . . . 0.0 112.101 169.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -79.6 -17.56 53.6 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -174.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -8.28 45.44 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -72.0 -20.08 61.77 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.565 0.746 . . . . 0.0 112.791 170.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -92.82 -13.6 28.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.871 1.268 . . . . 0.0 112.848 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.94 -166.43 24.35 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.697 1.618 . . . . 0.0 112.659 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.39 136.78 56.93 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.882 1.273 . . . . 0.0 113.829 -174.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.9 mt -109.96 130.92 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.919 1.688 . . . . 0.0 109.711 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -72.53 -49.21 34.39 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.033 1.333 . . . . 0.0 110.964 170.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -166.14 147.82 6.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.675 1.99 . . . . 0.0 109.268 -173.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.32 148.89 46.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.37 1.468 . . . . 0.0 110.229 174.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.5 m -149.35 158.21 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.368 1.467 . . . . 0.0 111.097 -177.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 80.9 t -128.21 138.28 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.527 1.531 . . . . 0.0 107.175 168.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.1 mm -85.26 92.94 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 C-N-CA 124.07 0.948 . . . . 0.0 108.934 -171.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 p -122.31 117.01 25.08 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 129.971 3.308 . . . . 0.0 108.2 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -39.37 134.32 1.22 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 -165.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -56.14 -24.82 43.39 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -106.25 -43.22 4.85 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.994 1.717 . . . . 0.0 112.593 -173.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.3 p -114.66 -11.28 12.36 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 125.347 1.459 . . . . 0.0 114.723 -172.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 60.61 15.94 6.14 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.503 1.921 . . . . 0.0 113.425 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 135.46 46.53 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.054 -1.029 . . . . 0.0 110.589 173.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.7 t -78.28 143.01 37.39 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.082 -1.011 . . . . 0.0 112.923 -175.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.4 mtt85 -93.16 1.37 57.17 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.309 1.444 . . . . 0.0 113.096 172.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.15 10.91 70.64 Favored Glycine 0 N--CA 1.474 1.231 0 C-N-CA 124.895 1.236 . . . . 0.0 114.664 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -150.75 168.67 23.7 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -154.63 -171.56 21.58 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 127.767 2.603 . . . . 0.0 112.493 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -139.05 150.68 46.04 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.817 1.647 . . . . 0.0 111.099 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.51 132.14 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.307 1.443 . . . . 0.0 108.468 171.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.1 m -115.26 128.12 55.93 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.643 0.777 . . . . 0.0 109.008 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 74.7 mmm -94.51 145.19 24.97 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.472 1.109 . . . . 0.0 110.993 -175.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -66.65 -24.72 66.33 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -138.97 149.37 44.65 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.51 1.124 . . . . 0.0 112.681 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -59.1 -32.69 70.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.711 1.205 . . . . 0.0 112.314 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.32 90.6 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.09 0.859 . . . . 0.0 112.119 175.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 m -69.33 -31.05 69.26 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.184 -0.947 . . . . 0.0 112.396 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.37 -38.74 63.1 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.489 -0.757 . . . . 0.0 112.704 172.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -61.22 -39.69 91.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.57 0.748 . . . . 0.0 111.5 171.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -65.91 -32.43 73.93 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.937 0.895 . . . . 0.0 112.602 173.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.2 -33.17 59.28 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.6 p -76.66 -5.2 46.9 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.09 -25.63 67.81 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -124.38 108.18 29.47 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.246 1.418 . . . . 0.0 109.615 172.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -79.21 -14.61 13.22 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.073 2.515 . . . . 0.0 113.209 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -138.14 72.79 45.77 Favored Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 124.901 1.28 . . . . 0.0 111.362 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.04 -10.16 15.28 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 124.369 3.38 . . . . 0.0 116.385 -169.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.3 mm 65.43 55.59 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 125.442 1.497 . . . . 0.0 111.285 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.7 mt -67.24 120.65 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.437 1.095 . . . . 0.0 110.365 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.66 22.87 8.77 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.755 2.022 . . . . 0.0 114.223 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.6 26.44 9.91 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.693 1.14 . . . . 0.0 115.46 172.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -148.4 138.28 22.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.047 1.424 . . . . 0.0 110.382 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.85 104.64 0.71 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.605 0.762 . . . . 0.0 112.612 -173.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.12 171.76 13.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.56 1.144 . . . . 0.0 111.325 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -136.55 112.77 9.82 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.382 1.873 . . . . 0.0 108.808 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 84.2 t -115.13 127.56 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.517 1.527 . . . . 0.0 110.27 -171.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -165.85 155.49 12.25 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.594 1.158 . . . . 0.0 113.014 171.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.3 mt -53.78 137.05 39.0 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 167.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -38.88 -84.43 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.283 0 N-CA-C 116.631 2.085 . . . . 0.0 116.631 -169.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -24.88 1.67 0.0 OUTLIER 'General case' 0 CA--C 1.577 1.981 1 N-CA-C 125.114 5.228 . . . . 0.0 125.114 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 mt -87.16 -74.3 0.44 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 124.939 3.518 . . . . 0.0 112.182 -169.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.44 10.98 64.84 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 125.402 1.477 . . . . 0.0 112.679 171.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.23 148.45 44.75 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.578 1.551 . . . . 0.0 112.65 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -106.98 154.06 40.54 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 125.887 1.675 . . . . 0.0 112.107 -173.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -69.63 130.46 19.55 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.14 2.56 . . . . 0.0 109.326 173.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -164.3 130.78 3.05 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.644 1.177 . . . . 0.0 109.671 -169.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.0 t -162.4 156.08 20.81 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.195 1.398 . . . . 0.0 111.179 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -128.59 15.75 6.5 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.942 1.697 . . . . 0.0 111.588 169.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 23.2 m -144.5 156.43 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 125.68 1.592 . . . . 0.0 111.902 -172.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.231 1.812 . . . . 0.0 111.42 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.834 1 C3'-C2'-C1' 105.276 4.196 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.232 0 P-O3'-C3' 123.49 3.159 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 111.877 3.677 . 0.195 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.462 0 O4'-C1'-N19 111.452 3.252 . 0.543 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 1 C3'-C2'-C1' 106.004 5.004 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.448 0 O4'-C1'-N19 110.937 2.737 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 111.906 -0.478 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.4 p -80.83 -18.86 46.08 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.6 m -137.15 -50.54 0.64 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.995 1.718 . . . . 0.0 110.587 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -74.28 130.88 40.55 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.775 0.83 . . . . 0.0 111.422 174.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.98 159.03 26.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.969 1.708 . . . . 0.0 111.354 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -145.97 148.63 36.29 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 125.943 1.697 . . . . 0.0 110.113 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -79.01 -15.1 13.23 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 123.467 2.778 . . . . 0.0 114.407 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t 73.93 123.14 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 127.799 2.439 . . . . 0.0 111.594 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.3 t -139.9 128.22 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.645 1.578 . . . . 0.0 108.436 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.98 -150.11 22.13 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.044 1.306 . . . . 0.0 112.646 -175.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.9 p -83.67 -7.53 59.47 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -176.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -68.41 132.26 46.71 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.121 0.968 . . . . 0.0 111.655 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -160.89 164.75 31.01 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.282 1.833 . . . . 0.0 110.617 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.2 p 67.79 -28.98 0.15 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 129.165 2.986 . . . . 0.0 114.442 -173.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.5 mtp -57.14 -15.07 4.75 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.448 1.499 . . . . 0.0 113.544 172.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -120.44 6.65 10.61 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.977 1.711 . . . . 0.0 113.019 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.4 p -143.31 -25.31 0.59 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.393 1.477 . . . . 0.0 114.192 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -84.9 123.74 30.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.705 1.202 . . . . 0.0 110.333 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 22.4 mt -122.52 120.35 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 126.159 1.783 . . . . 0.0 108.881 -171.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -84.3 134.48 34.51 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.087 1.355 . . . . 0.0 107.772 168.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.6 t -135.88 92.68 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.919 0.888 . . . . 0.0 109.394 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.29 -175.42 24.27 Favored Glycine 0 N--CA 1.468 0.773 0 C-N-CA 123.239 0.447 . . . . 0.0 113.757 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.4 24.1 76.99 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 123.438 0.542 . . . . 0.0 113.393 -172.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.6 mt -78.99 152.41 76.95 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 125.181 1.392 . . . . 0.0 109.837 171.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -76.08 154.9 37.84 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.277 1.985 . . . . 0.0 109.847 169.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -68.34 -5.14 17.17 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -172.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -97.54 -3.77 39.11 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.6 m -68.72 142.49 54.98 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.291 1.437 . . . . 0.0 110.571 176.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -116.76 169.66 9.2 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.471 1.109 . . . . 0.0 112.524 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -57.46 -41.69 81.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.746 1.219 . . . . 0.0 112.61 -175.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -71.58 -34.39 69.9 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.525 0.73 . . . . 0.0 112.765 175.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.1 m -57.18 -39.14 74.75 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.585 1.154 . . . . 0.0 110.96 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.0 tp -77.29 -40.01 45.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.652 0.781 . . . . 0.0 112.809 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.44 -39.59 80.26 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.693 -0.63 . . . . 0.0 111.777 173.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -74.43 -11.71 60.31 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.426 1.49 . . . . 0.0 112.932 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -92.76 -42.42 9.59 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.082 0.855 . . . . 0.0 112.028 169.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -77.29 -15.61 59.35 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -6.4 30.58 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 178.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -74.9 -19.4 60.16 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.491 -0.755 . . . . 0.0 112.79 169.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -94.0 -15.31 24.98 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.679 1.191 . . . . 0.0 113.081 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.23 -145.68 15.77 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 124.876 1.226 . . . . 0.0 112.773 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -93.17 134.87 34.9 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.285 1.034 . . . . 0.0 112.558 -169.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -111.25 128.95 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.179 1.392 . . . . 0.0 110.243 -175.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -71.75 -49.39 39.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.902 1.281 . . . . 0.0 111.041 169.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -165.59 147.59 7.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.71 2.004 . . . . 0.0 108.902 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.35 143.37 29.05 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.015 1.326 . . . . 0.0 110.659 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.9 m -150.85 159.68 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.244 1.418 . . . . 0.0 111.615 -171.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.7 t -125.35 131.06 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.952 1.701 . . . . 0.0 108.011 169.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.9 mm -76.73 116.92 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.954 0.902 . . . . 0.0 111.025 -169.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.7 p -125.25 141.64 51.97 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 127.078 2.151 . . . . 0.0 109.008 175.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -64.45 138.17 58.27 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 -169.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.1 ptt85 -56.69 -24.02 46.05 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -177.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -110.98 -47.99 3.16 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.985 1.714 . . . . 0.0 112.211 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.4 p -101.01 -14.58 17.78 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.697 1.199 . . . . 0.0 113.969 -169.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 59.98 10.55 2.23 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.668 1.987 . . . . 0.0 114.145 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.57 141.44 51.82 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.009 -1.057 . . . . 0.0 110.537 173.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.1 t -71.71 143.93 49.48 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.364 -0.835 . . . . 0.0 112.395 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -89.02 -2.75 58.73 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.416 1.486 . . . . 0.0 113.767 173.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.82 14.22 80.0 Favored Glycine 0 N--CA 1.474 1.169 0 C-N-CA 123.955 0.788 . . . . 0.0 114.045 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -150.45 163.16 39.09 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.109 1.364 . . . . 0.0 113.644 176.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.08 -175.34 14.69 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 126.661 2.077 . . . . 0.0 112.955 174.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -130.46 147.35 52.15 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 125.948 1.699 . . . . 0.0 110.623 174.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.8 t -137.44 130.23 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.659 1.584 . . . . 0.0 108.19 174.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -117.45 126.27 52.34 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.559 0.744 . . . . 0.0 109.048 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 76.8 mmm -94.16 145.45 24.69 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.467 1.107 . . . . 0.0 111.313 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -67.86 -21.02 65.19 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -150.07 151.09 32.67 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.367 1.467 . . . . 0.0 110.925 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -55.5 -32.14 62.61 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.56 1.144 . . . . 0.0 112.069 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.55 -22.67 66.15 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.0 m -85.48 -29.26 24.43 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.422 -0.798 . . . . 0.0 112.001 173.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.12 -37.94 57.44 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.109 -0.994 . . . . 0.0 112.488 173.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.33 -30.71 69.7 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.238 1.015 . . . . 0.0 112.172 171.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -75.07 -26.92 59.71 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 173.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.5 -25.35 45.63 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.5 p -77.31 -2.85 36.94 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -64.27 -24.93 67.83 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.165 1.386 . . . . 0.0 114.69 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -129.64 107.15 17.11 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.036 1.335 . . . . 0.0 110.156 171.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.84 -18.0 11.92 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.198 2.599 . . . . 0.0 112.971 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -134.57 68.34 72.22 Favored Pre-proline 0 CA--C 1.554 1.12 0 C-N-CA 125.388 1.475 . . . . 0.0 111.653 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.52 -8.98 16.14 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 124.474 3.449 . . . . 0.0 116.93 -169.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 63.79 56.92 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 125.625 1.57 . . . . 0.0 111.178 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.0 mt -72.74 123.53 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.022 -1.049 . . . . 0.0 109.359 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t0 65.38 12.89 8.45 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.96 1.704 . . . . 0.0 113.857 172.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.41 39.22 4.27 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.458 1.504 . . . . 0.0 114.918 175.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -155.09 141.53 18.71 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.024 1.329 . . . . 0.0 109.069 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -64.42 101.53 0.45 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.3 0.571 . . . . 0.0 111.662 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.35 175.2 10.47 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.45 1.1 . . . . 0.0 111.184 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -150.04 99.22 2.8 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.962 1.705 . . . . 0.0 108.468 -171.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.4 t -106.84 124.37 62.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.447 1.499 . . . . 0.0 110.007 -169.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -163.25 155.23 17.81 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.258 1.023 . . . . 0.0 113.334 175.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.4 mt -54.93 144.83 21.75 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.629 0.772 . . . . 0.0 109.678 169.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -45.8 -86.69 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.342 0 N-CA-C 116.482 2.031 . . . . 0.0 116.482 -171.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -27.09 3.64 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.029 1 N-CA-C 124.523 5.009 . . . . 0.0 124.523 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.5 mt -89.26 -74.23 0.48 Allowed 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 124.755 3.434 . . . . 0.0 112.223 -169.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.03 11.89 61.44 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.439 1.495 . . . . 0.0 112.837 172.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.39 133.52 56.17 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.407 1.483 . . . . 0.0 111.782 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.96 150.43 45.37 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 124.663 1.185 . . . . 0.0 112.47 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -76.37 143.05 24.49 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.463 2.775 . . . . 0.0 111.016 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.93 17.29 0.15 Allowed 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.7 m -81.62 96.0 7.36 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.143 1.377 . . . . 0.0 109.719 -174.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -85.9 -6.53 59.06 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -172.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.4 p -161.6 137.41 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.637 1.975 . . . . 0.0 109.748 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.543 1.937 . . . . 0.0 112.394 -174.43 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 1 C3'-C2'-C1' 105.795 4.773 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 0 O4'-C1'-N19 111.819 3.619 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.083 0 C5'-C4'-C3' 109.938 -3.708 . 0.583 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.543 0 O5'-C5'-C4' 113.952 2.68 . 0.526 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.219 0 C5'-C4'-C3' 111.082 -2.945 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 C3'-C2'-C1' 103.895 2.661 . 0.1 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.5 p -85.35 -10.76 55.92 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.8 t -163.8 177.01 8.98 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.891 2.076 . . . . 0.0 110.48 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -65.58 155.55 35.43 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.976 1.31 . . . . 0.0 113.429 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.26 171.84 18.44 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.801 1.64 . . . . 0.0 111.618 -176.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -138.98 147.47 53.97 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 125.852 1.661 . . . . 0.0 110.135 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.36 141.53 32.01 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.354 2.702 . . . . 0.0 111.855 -175.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.8 m -148.33 153.32 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 126.625 1.97 . . . . 0.0 109.515 176.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -143.03 160.09 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 125.267 1.427 . . . . 0.0 110.938 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.05 99.78 0.8 Allowed Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.211 0.91 . . . . 0.0 112.362 -177.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.9 p -169.02 -39.24 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.593 1.557 . . . . 0.0 112.447 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -68.89 129.43 39.93 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.507 1.123 . . . . 0.0 111.373 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -66.25 140.86 58.17 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.792 1.237 . . . . 0.0 112.226 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.9 p 67.05 -27.21 0.12 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 129.373 3.069 . . . . 0.0 115.528 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 48.9 ttm -55.67 -23.73 30.05 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.313 1.445 . . . . 0.0 114.425 -173.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -123.56 11.18 9.18 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.854 1.262 . . . . 0.0 113.683 -176.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.0 p -135.64 -25.06 1.31 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.173 1.389 . . . . 0.0 113.81 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -89.46 130.6 35.78 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.864 1.666 . . . . 0.0 110.879 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.9 mt -128.49 118.75 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 126.461 1.904 . . . . 0.0 108.706 -170.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -84.03 134.4 34.63 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.711 1.204 . . . . 0.0 107.883 168.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.8 t -135.95 92.9 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.873 0.869 . . . . 0.0 109.685 -173.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.99 -175.02 25.57 Favored Glycine 0 N--CA 1.47 0.907 0 C-N-CA 123.393 0.52 . . . . 0.0 114.002 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.71 15.0 73.18 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 123.808 0.718 . . . . 0.0 113.908 -174.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 98.2 mt -70.92 145.86 92.29 Favored Pre-proline 0 C--O 1.241 0.619 0 C-N-CA 124.923 1.289 . . . . 0.0 110.149 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.07 143.24 35.73 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.233 1.956 . . . . 0.0 108.991 169.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -60.3 -17.12 40.39 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -82.58 -3.01 55.39 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.8 m -67.66 126.52 29.64 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.921 1.288 . . . . 0.0 109.575 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.6 p -94.64 166.64 11.92 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.999 0.904 . . . . 0.0 112.571 173.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -53.87 -36.73 62.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.002 1.321 . . . . 0.0 111.937 173.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -82.29 -29.79 30.95 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.241 1.016 . . . . 0.0 112.809 177.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -62.36 -43.24 99.28 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.869 0.868 . . . . 0.0 110.139 173.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.49 -39.94 81.12 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.137 0.575 . . . . 0.0 112.28 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -58.76 -38.83 79.32 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.716 -0.615 . . . . 0.0 111.711 173.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -75.75 -10.66 59.62 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.747 1.219 . . . . 0.0 113.519 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -92.14 -41.13 10.64 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.224 0.92 . . . . 0.0 111.93 168.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -78.86 -14.11 59.42 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -174.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -8.65 49.33 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -73.99 -18.26 60.88 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.858 0.863 . . . . 0.0 112.938 170.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -94.64 -10.75 30.89 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.698 1.199 . . . . 0.0 113.16 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.66 -160.54 23.82 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.631 1.586 . . . . 0.0 112.73 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -72.28 125.01 26.27 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.593 1.157 . . . . 0.0 112.757 -172.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.8 mt -92.61 127.07 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.54 1.136 . . . . 0.0 109.858 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -85.07 -34.87 22.15 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.232 1.813 . . . . 0.0 111.663 176.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -164.81 147.7 8.54 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.864 2.066 . . . . 0.0 108.903 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.81 133.82 15.98 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.213 1.005 . . . . 0.0 110.536 172.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.2 m -151.11 158.92 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.272 1.429 . . . . 0.0 111.633 -172.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.0 t -121.95 133.46 68.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.093 1.757 . . . . 0.0 108.219 170.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.408 HG13 ' CE2' ' A' ' 78' ' ' TYR . 36.9 mm -75.75 127.92 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.634 0.774 . . . . 0.0 110.479 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.0 p -140.42 141.72 35.49 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.635 1.974 . . . . 0.0 109.816 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.31 138.25 57.69 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -176.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -61.31 -17.78 55.38 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 -175.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -125.26 -22.97 4.25 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -176.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.1 p -116.38 -16.03 10.9 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.273 1.429 . . . . 0.0 114.086 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 59.46 20.36 8.76 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.078 1.751 . . . . 0.0 113.249 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.97 137.95 49.56 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.165 -0.96 . . . . 0.0 110.314 175.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.8 m -75.58 141.72 42.85 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.85 0.86 . . . . 0.0 113.06 -172.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -90.96 -2.9 57.66 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.16 3.5 87.35 Favored Glycine 0 N--CA 1.475 1.268 0 C-N-CA 124.739 1.161 . . . . 0.0 114.331 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.408 ' CE2' HG13 ' A' ' 67' ' ' ILE . 15.2 p90 -149.4 163.46 37.7 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.257 1.423 . . . . 0.0 113.897 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.53 -173.79 13.6 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 126.649 2.071 . . . . 0.0 112.873 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -130.11 145.61 51.71 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 125.983 1.713 . . . . 0.0 110.624 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -135.89 136.62 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.432 1.493 . . . . 0.0 108.306 173.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -124.62 134.9 52.77 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.805 1.242 . . . . 0.0 108.291 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 87.4 mmm -106.88 139.82 40.68 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.452 1.101 . . . . 0.0 110.952 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -66.26 -19.3 65.78 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -175.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -137.41 149.37 46.87 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.33 1.452 . . . . 0.0 111.349 172.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.07 -39.77 69.64 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.369 1.068 . . . . 0.0 112.246 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.4 -25.4 65.03 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.565 -0.709 . . . . 0.0 112.573 -176.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.1 m -75.4 -29.57 59.83 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.151 -0.968 . . . . 0.0 112.254 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.46 -35.4 60.89 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.316 -0.865 . . . . 0.0 111.893 169.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.33 -42.91 96.63 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.224 0.609 . . . . 0.0 111.336 169.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -63.68 -34.37 77.7 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.748 0.819 . . . . 0.0 112.736 172.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.7 -35.1 67.56 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.6 p -77.13 -4.84 46.55 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -62.31 -26.15 68.26 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -124.98 107.22 28.42 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 125.337 1.455 . . . . 0.0 109.839 173.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.44 -15.54 13.97 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 123.056 2.504 . . . . 0.0 113.188 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -135.54 72.5 64.0 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.912 1.285 . . . . 0.0 112.111 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.43 -11.83 14.25 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 124.33 3.354 . . . . 0.0 116.491 -171.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.9 mm 63.96 56.54 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 125.678 1.591 . . . . 0.0 111.297 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.3 mt -69.23 118.15 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 121.035 -1.041 . . . . 0.0 110.062 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.48 21.75 8.85 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.543 1.937 . . . . 0.0 114.641 175.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.84 32.72 5.53 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.749 1.166 . . . . 0.0 115.787 171.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -152.42 141.98 21.76 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 118.738 1.269 . . . . 0.0 109.936 171.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.32 101.62 0.45 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.595 0.712 . . . . 0.0 111.971 -177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.69 166.97 22.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.491 1.116 . . . . 0.0 111.012 175.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -135.99 102.56 5.08 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.189 1.796 . . . . 0.0 108.223 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.6 t -107.62 125.86 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.378 1.471 . . . . 0.0 110.039 -170.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -163.89 155.7 16.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.328 1.051 . . . . 0.0 113.162 174.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -54.27 141.24 30.43 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.438 0.695 . . . . 0.0 109.4 168.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -41.53 -82.94 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.363 0 N-CA-C 116.305 1.965 . . . . 0.0 116.305 -174.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -29.01 2.54 0.0 OUTLIER 'General case' 0 CA--C 1.577 1.999 1 N-CA-C 124.683 5.068 . . . . 0.0 124.683 -178.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.3 mt -87.37 -71.63 0.55 Allowed 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 124.818 3.463 . . . . 0.0 112.041 -169.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.87 12.92 62.36 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.361 1.458 . . . . 0.0 112.586 170.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.18 144.65 54.87 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.135 1.374 . . . . 0.0 113.076 -174.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -85.61 160.21 53.88 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 126.022 1.729 . . . . 0.0 112.399 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.74 139.07 49.66 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 124.107 3.205 . . . . 0.0 111.828 169.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -155.81 125.43 6.37 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.227 1.011 . . . . 0.0 110.658 -173.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 41.1 p -144.84 172.42 13.04 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 127.14 2.176 . . . . 0.0 110.661 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -139.33 152.31 47.09 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 125.68 1.592 . . . . 0.0 111.224 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 98.3 t -72.65 129.46 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.369 1.068 . . . . 0.0 110.001 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.065 1.746 . . . . 0.0 111.81 -177.446 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 1 O4'-C1'-N19 114.654 6.454 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.103 1 O4'-C1'-N19 112.72 4.52 . 0.22 5q . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.359 0 C3'-C2'-C1' 104.259 3.066 . 0.617 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 O4'-C1'-N19 110.972 2.772 . 0.601 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.928 2 C3'-C2'-C1' 106.139 5.154 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C3'-C2'-C1' 104.344 3.16 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.578 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 t -162.86 164.38 26.04 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.444 1.498 . . . . 0.0 111.206 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.9 p -144.97 159.77 42.4 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.426 1.89 . . . . 0.0 111.161 -173.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -157.82 146.44 19.24 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.178 1.391 . . . . 0.0 111.459 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -166.49 -38.98 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.211 1.804 . . . . 0.0 112.453 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -143.28 151.14 54.25 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 126.706 2.002 . . . . 0.0 109.288 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -66.72 133.59 32.26 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.513 2.808 . . . . 0.0 111.104 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.1 m -96.13 1.98 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -169.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 p -166.33 140.91 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.028 1.331 . . . . 0.0 111.202 -174.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.31 3.37 70.32 Favored Glycine 0 N--CA 1.473 1.162 0 C-N-CA 124.75 1.167 . . . . 0.0 115.509 171.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 p -87.15 -38.61 16.27 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.988 1.315 . . . . 0.0 114.012 -170.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -146.7 142.81 28.22 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.513 1.925 . . . . 0.0 110.102 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -93.46 -0.34 56.47 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.851 1.26 . . . . 0.0 114.166 -175.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.5 p -142.77 -46.93 0.32 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.114 1.765 . . . . 0.0 113.075 -173.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 53.8 ttm -53.69 -25.22 17.3 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -174.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -120.39 10.96 11.34 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.099 1.36 . . . . 0.0 113.642 -176.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.9 p -134.51 -27.31 1.35 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.444 1.498 . . . . 0.0 113.59 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.416 ' HE2' ' CE1' ' A' ' 80' ' ' PHE . 88.4 tttt -88.51 130.11 35.3 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.982 1.713 . . . . 0.0 110.704 176.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 mt -127.19 119.79 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 126.25 1.82 . . . . 0.0 108.797 -170.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -83.87 137.32 33.74 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.88 1.272 . . . . 0.0 108.189 168.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.7 t -136.71 92.88 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.971 0.909 . . . . 0.0 109.609 -176.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.1 -174.72 26.47 Favored Glycine 0 N--CA 1.469 0.877 0 C-N-CA 123.136 0.398 . . . . 0.0 113.604 176.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.17 16.44 75.14 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 123.767 0.699 . . . . 0.0 114.182 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -74.33 150.42 87.29 Favored Pre-proline 0 C--O 1.241 0.623 0 C-N-CA 125.44 1.496 . . . . 0.0 110.44 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.21 152.22 44.7 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.302 2.001 . . . . 0.0 109.494 169.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -66.87 -9.01 33.21 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 -171.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -93.33 -4.14 52.18 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m -67.81 140.22 56.62 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.006 1.322 . . . . 0.0 110.265 175.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.1 m -115.8 168.91 9.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.42 1.088 . . . . 0.0 112.187 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -57.15 -36.18 70.42 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.402 1.081 . . . . 0.0 113.149 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -70.37 -39.91 74.33 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.285 0.634 . . . . 0.0 111.83 173.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -59.08 -43.36 91.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.2 1.4 . . . . 0.0 110.692 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.5 tp -74.45 -37.35 63.29 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -59.07 -41.16 87.29 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.592 0.633 . . . . 0.0 111.413 173.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -66.4 -34.03 77.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.003 0.921 . . . . 0.0 112.74 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -72.26 -30.33 64.74 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.367 -0.833 . . . . 0.0 113.126 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -86.43 -7.21 58.62 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -173.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -65.92 -18.99 65.71 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.373 0.988 . . . . 0.0 113.035 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -72.41 -15.68 61.84 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.359 1.063 . . . . 0.0 113.55 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -98.61 -12.82 20.75 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.466 1.106 . . . . 0.0 113.17 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.7 -156.96 22.36 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.509 1.528 . . . . 0.0 113.06 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -75.31 126.98 32.12 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.059 1.344 . . . . 0.0 112.687 -172.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.5 mt -99.9 126.94 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.933 1.293 . . . . 0.0 109.592 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -81.62 -44.37 17.31 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.933 1.693 . . . . 0.0 110.597 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -164.94 151.97 10.9 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.538 1.935 . . . . 0.0 109.318 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.7 143.88 26.74 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.769 1.228 . . . . 0.0 110.884 175.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 m -151.63 157.48 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.784 1.633 . . . . 0.0 111.317 -173.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.2 t -126.51 132.86 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.219 1.407 . . . . 0.0 107.519 169.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.9 mm -80.19 109.83 15.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 123.782 0.833 . . . . 0.0 111.026 -169.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.0 p -124.98 140.14 53.18 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.999 2.12 . . . . 0.0 109.451 177.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.49 142.26 58.01 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -170.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -58.59 -22.58 56.47 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -131.26 -21.71 2.58 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -172.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.0 p -111.51 -17.14 13.14 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.419 1.488 . . . . 0.0 113.696 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 60.4 11.81 3.13 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.313 1.845 . . . . 0.0 113.987 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.81 136.94 49.1 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.918 -1.113 . . . . 0.0 110.57 174.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.9 t -73.43 144.69 46.23 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.396 -0.815 . . . . 0.0 111.755 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -90.5 3.62 53.43 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 170.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.0 14.91 68.42 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 124.257 0.932 . . . . 0.0 114.321 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -149.94 163.09 39.0 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.099 1.36 . . . . 0.0 114.094 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.58 -172.15 14.95 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 127.053 2.263 . . . . 0.0 112.794 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.416 ' CE1' ' HE2' ' A' ' 36' ' ' LYS . 25.1 m-85 -133.97 149.73 51.24 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.817 1.647 . . . . 0.0 111.023 175.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.4 t -136.77 136.27 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.814 1.645 . . . . 0.0 108.178 172.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.8 m -121.71 135.47 54.95 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.168 0.987 . . . . 0.0 108.57 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 87.8 mmm -106.3 146.2 30.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.498 1.119 . . . . 0.0 111.257 -174.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -71.61 -14.52 62.09 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -140.96 151.21 44.0 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.306 1.443 . . . . 0.0 110.904 170.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -49.27 -47.32 46.8 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.052 0.941 . . . . 0.0 112.457 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.37 -24.41 65.69 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.723 -0.61 . . . . 0.0 112.352 -171.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.6 m -75.44 -29.63 59.74 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.143 -0.973 . . . . 0.0 112.77 174.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.17 -34.7 49.53 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.153 -0.967 . . . . 0.0 111.879 169.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -63.59 -37.34 86.97 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.214 1.006 . . . . 0.0 111.413 172.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -66.43 -33.25 75.3 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.338 1.055 . . . . 0.0 112.936 170.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.63 64.26 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.6 p -74.91 -6.05 47.07 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.69 -27.34 69.15 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -120.76 104.49 42.02 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 125.163 1.385 . . . . 0.0 109.477 170.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.34 -18.59 12.36 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.927 2.418 . . . . 0.0 113.035 -178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -131.15 69.71 82.31 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 124.605 1.162 . . . . 0.0 112.245 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -80.2 -9.72 13.89 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 124.479 3.452 . . . . 0.0 116.596 -171.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.7 mm 64.11 55.94 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.696 1.598 . . . . 0.0 111.138 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.1 mt -71.59 124.71 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.049 -1.032 . . . . 0.0 109.456 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.6 t0 64.85 13.72 8.72 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.872 1.669 . . . . 0.0 113.728 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.91 36.85 5.39 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.371 1.463 . . . . 0.0 115.061 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.2 ttt85 -153.05 143.69 22.72 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.461 1.131 . . . . 0.0 109.534 170.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -62.86 101.5 0.27 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.544 0.688 . . . . 0.0 111.739 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.42 174.48 11.52 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.587 1.155 . . . . 0.0 111.24 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -145.8 94.32 2.47 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.013 1.725 . . . . 0.0 108.622 -173.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 99.3 t -102.7 125.05 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.954 1.702 . . . . 0.0 109.626 -171.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -163.25 155.06 17.62 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.182 0.993 . . . . 0.0 113.095 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -54.2 141.16 30.27 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.383 0.673 . . . . 0.0 109.487 168.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -42.18 -84.93 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.334 0 N-CA-C 116.557 2.058 . . . . 0.0 116.557 -171.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -26.17 2.66 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.928 1 N-CA-C 124.842 5.127 . . . . 0.0 124.842 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.9 mt -87.69 -74.68 0.44 Allowed 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 124.868 3.485 . . . . 0.0 112.106 -169.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.21 9.17 70.91 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 125.272 1.415 . . . . 0.0 112.854 172.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.11 127.03 29.53 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.006 1.322 . . . . 0.0 111.478 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -87.16 157.4 53.82 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 124.063 0.945 . . . . 0.0 113.08 -173.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -53.25 129.97 36.09 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 124.524 3.483 . . . . 0.0 112.195 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.37 62.52 1.16 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.948 0.899 . . . . 0.0 110.57 -173.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 41.0 p -70.24 167.92 16.91 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.265 1.826 . . . . 0.0 111.433 175.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -161.47 -54.63 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.464 1.106 . . . . 0.0 113.568 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 35.0 m -138.63 12.19 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 125.882 1.673 . . . . 0.0 113.056 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.719 2.008 . . . . 0.0 110.809 -174.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.065 1 C3'-C2'-C1' 105.412 4.347 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.251 0 O4'-C1'-N19 111.978 3.778 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 0 O4'-C1'-N19 111.265 3.065 . 0.662 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.663 0 O5'-C5'-C4' 114.086 2.776 . 0.671 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 1 C3'-C2'-C1' 105.126 4.029 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 C3'-C2'-C1' 103.992 2.769 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -84.99 -3.83 58.93 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -173.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.2 m -65.66 134.66 53.73 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.867 1.667 . . . . 0.0 111.106 -177.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -66.64 152.44 45.36 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.067 0.947 . . . . 0.0 112.659 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.32 166.89 31.78 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.127 1.371 . . . . 0.0 112.264 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -139.9 156.22 70.73 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 127.207 2.203 . . . . 0.0 109.544 -176.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -74.69 64.9 5.78 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 124.221 3.281 . . . . 0.0 112.181 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.75 -2.32 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.799 1.64 . . . . 0.0 113.019 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t -74.64 131.73 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.245 1.418 . . . . 0.0 110.09 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.92 -179.91 49.19 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.8 1.191 . . . . 0.0 112.735 -174.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 t -164.16 167.73 19.8 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.91 1.284 . . . . 0.0 111.553 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -116.78 -0.81 12.2 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.751 1.62 . . . . 0.0 113.128 175.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -161.13 171.54 18.35 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.768 2.027 . . . . 0.0 112.001 -174.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.8 p -95.7 -7.63 36.86 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.236 1.414 . . . . 0.0 114.564 -174.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.8 mtp -64.42 -17.93 64.25 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.971 1.259 . . . . 0.0 113.473 -173.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -113.9 5.43 16.21 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.409 1.484 . . . . 0.0 113.489 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.1 p -135.18 -23.09 1.52 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.921 1.288 . . . . 0.0 113.974 -176.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -89.2 128.29 35.8 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.273 1.429 . . . . 0.0 110.765 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.0 mt -126.4 118.75 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.993 1.717 . . . . 0.0 108.825 -169.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -79.62 138.55 37.46 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.705 1.202 . . . . 0.0 108.785 169.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.2 t -137.68 94.5 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.781 0.832 . . . . 0.0 109.186 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.61 -176.08 28.42 Favored Glycine 0 N--CA 1.468 0.779 0 C-N-CA 122.966 0.317 . . . . 0.0 112.87 174.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.01 17.87 72.18 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 123.354 0.502 . . . . 0.0 113.521 -173.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.3 mt -74.59 141.52 76.34 Favored Pre-proline 0 C--O 1.239 0.552 0 C-N-CA 124.265 1.026 . . . . 0.0 109.205 173.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.7 146.53 67.06 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 121.968 1.779 . . . . 0.0 109.187 170.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -61.63 -13.79 25.27 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 -171.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -90.76 -5.55 55.54 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 115.105 1.521 . . . . 0.0 115.105 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.2 m -67.21 130.92 44.64 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.613 1.165 . . . . 0.0 109.323 169.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.2 m -105.51 171.01 7.56 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.31 1.044 . . . . 0.0 111.796 175.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -58.1 -34.95 70.74 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.104 -0.997 . . . . 0.0 112.882 176.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -72.35 -36.85 68.9 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 173.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.6 m -60.43 -42.76 96.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.21 1.404 . . . . 0.0 110.278 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.4 tp -73.2 -39.54 65.48 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.676 0.791 . . . . 0.0 112.59 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -59.42 -40.59 87.19 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.536 0.607 . . . . 0.0 111.451 173.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -67.0 -31.38 71.9 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.178 0.991 . . . . 0.0 112.567 -175.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -74.36 -32.13 62.66 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.27 -0.894 . . . . 0.0 113.112 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -84.43 -6.94 59.43 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -173.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -66.4 -17.11 64.59 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.496 1.044 . . . . 0.0 113.234 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -74.32 -15.47 60.95 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.565 1.146 . . . . 0.0 113.341 177.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -97.94 -13.23 21.28 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.419 1.088 . . . . 0.0 113.36 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.41 -145.32 17.41 Favored Glycine 0 C--N 1.339 0.726 0 C-N-CA 124.251 0.929 . . . . 0.0 113.346 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -88.24 119.81 29.01 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.174 0.99 . . . . 0.0 111.844 -170.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 52.1 mt -91.75 130.4 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.378 1.071 . . . . 0.0 109.273 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -89.93 -37.87 14.07 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.609 1.564 . . . . 0.0 111.648 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -166.42 152.91 8.98 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.314 1.846 . . . . 0.0 109.378 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.45 143.27 24.66 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.583 1.153 . . . . 0.0 110.77 174.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.7 m -151.45 158.9 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.627 1.571 . . . . 0.0 111.454 -173.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.45 133.55 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.796 1.638 . . . . 0.0 107.433 169.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.6 mm -81.7 124.82 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.628 0.771 . . . . 0.0 112.17 -168.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.8 p -143.4 143.18 31.53 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 127.119 2.168 . . . . 0.0 110.432 -175.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.41 141.91 55.71 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 175.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -67.81 -14.77 63.23 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -173.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -129.73 -27.17 2.37 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.792 1.237 . . . . 0.0 114.194 -174.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.5 p -105.87 -16.1 14.74 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.553 1.541 . . . . 0.0 113.594 174.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 61.51 13.14 4.9 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.279 1.832 . . . . 0.0 113.929 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 129.2 39.27 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.172 -0.955 . . . . 0.0 112.222 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 m -75.2 131.97 40.79 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.08 -1.012 . . . . 0.0 111.874 -174.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -82.03 0.65 39.38 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.62 8.53 80.13 Favored Glycine 0 N--CA 1.475 1.239 0 C-N-CA 124.543 1.068 . . . . 0.0 114.194 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -148.02 164.32 34.16 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.822 1.249 . . . . 0.0 113.868 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.19 -169.93 15.05 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 127.081 2.277 . . . . 0.0 112.637 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -134.17 150.65 51.1 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.753 1.621 . . . . 0.0 110.873 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.2 t -134.25 132.88 55.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.715 1.606 . . . . 0.0 108.085 170.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.6 m -114.95 132.51 56.54 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.8 mmm -101.44 144.53 30.12 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.347 1.059 . . . . 0.0 110.407 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -64.45 -17.55 63.92 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -153.16 150.32 28.94 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.037 1.335 . . . . 0.0 111.946 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -57.48 -31.97 66.52 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.211 1.004 . . . . 0.0 112.669 177.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.39 -23.49 65.58 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.9 m -86.48 -35.01 19.88 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.467 -0.77 . . . . 0.0 111.686 174.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.74 -37.43 76.47 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.141 -0.974 . . . . 0.0 112.722 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -55.39 -44.18 75.86 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 124.11 0.964 . . . . 0.0 111.827 169.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -66.57 -36.35 82.44 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.65 0.659 . . . . 0.0 112.411 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.51 -35.49 73.23 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.2 p -76.74 -10.09 59.13 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -70.55 -25.73 63.23 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -176.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -110.69 103.31 54.22 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 124.838 1.255 . . . . 0.0 109.827 170.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.0 -15.82 12.87 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.028 2.485 . . . . 0.0 113.076 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -137.67 75.66 43.27 Favored Pre-proline 0 CA--C 1.551 1.006 0 C-N-CA 124.525 1.13 . . . . 0.0 112.438 -173.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -80.13 -13.38 12.65 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.128 3.219 . . . . 0.0 116.154 -173.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.1 mm 63.5 57.37 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 125.652 1.581 . . . . 0.0 111.269 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.3 mt -71.69 119.83 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.21 1.004 . . . . 0.0 110.019 -174.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.1 24.43 12.75 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.507 1.923 . . . . 0.0 113.997 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.53 30.69 7.93 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.55 1.071 . . . . 0.0 115.697 170.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -153.13 140.11 19.21 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.107 1.363 . . . . 0.0 109.013 174.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -64.45 103.36 0.65 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.321 0.581 . . . . 0.0 112.271 -176.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.67 162.17 28.47 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.94 0.896 . . . . 0.0 110.266 169.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -134.79 99.45 4.32 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.847 1.659 . . . . 0.0 107.482 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.9 t -103.88 128.59 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.939 1.696 . . . . 0.0 110.337 -169.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -166.27 160.28 15.79 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.844 1.258 . . . . 0.0 112.641 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.4 mt -53.21 149.09 7.48 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.541 0.737 . . . . 0.0 110.37 169.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -46.9 -92.81 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -175.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -27.29 5.25 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.104 1 N-CA-C 124.582 5.031 . . . . 0.0 124.582 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.9 mt -89.62 -74.34 0.48 Allowed 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 124.539 3.336 . . . . 0.0 112.645 -168.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -85.01 14.12 50.76 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.386 1.469 . . . . 0.0 113.06 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.52 149.93 33.01 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.429 1.892 . . . . 0.0 112.953 -177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -111.42 154.62 43.68 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.187 1.395 . . . . 0.0 112.953 -172.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.19 136.05 23.8 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 123.024 2.482 . . . . 0.0 108.905 168.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 -137.6 87.33 2.25 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.763 1.225 . . . . 0.0 109.852 -174.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 34.8 p -59.94 -16.65 31.6 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.821 1.649 . . . . 0.0 114.623 -172.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -78.95 -5.39 53.63 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.254 1.422 . . . . 0.0 114.726 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.5 m -141.93 157.73 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 125.188 1.395 . . . . 0.0 112.043 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 . . . . . 0 C--O 1.253 1.267 0 C-N-CA 126.044 1.738 . . . . 0.0 111.316 -178.927 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 1 O4'-C1'-N19 112.719 4.519 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.043 1 O4'-C1'-N19 113.12 4.92 . 0.053 5q . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 1 C5'-C4'-C3' 109.292 -4.139 . 0.821 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C3'-C2'-C1' 99.22 -2.533 . 0.465 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 C3'-C2'-C1' 105.011 3.901 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C5'-C4'-C3' 111.161 -2.893 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.983 -0.447 . . . . 0.0 111.983 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.2 t -163.58 147.26 10.34 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.02 1.328 . . . . 0.0 111.375 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.5 p -69.8 -12.81 61.91 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.767 1.227 . . . . 0.0 113.124 174.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -80.81 -10.76 59.69 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.78 1.232 . . . . 0.0 113.356 174.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.47 145.4 50.98 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.017 0.927 . . . . 0.0 112.316 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -147.29 161.11 37.54 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 126.096 1.758 . . . . 0.0 110.466 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -65.6 39.8 0.13 Allowed 'Trans proline' 0 CA--C 1.549 1.261 1 C-N-CA 125.415 4.076 . . . . 0.0 116.829 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.5 m -78.22 42.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 126.045 1.738 . . . . 0.0 112.484 -176.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 p -157.88 143.07 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.816 2.046 . . . . 0.0 110.065 -170.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.06 3.84 90.2 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.2 0.905 . . . . 0.0 113.848 -173.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.8 p -76.23 -12.97 60.18 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.513 1.525 . . . . 0.0 114.088 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 58.64 49.63 10.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.862 1.665 . . . . 0.0 112.087 172.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -145.04 154.27 42.33 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.966 1.706 . . . . 0.0 111.867 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.0 p -80.69 -11.02 59.69 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.498 1.919 . . . . 0.0 114.961 -168.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 57.0 ttm -53.68 -24.08 13.4 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.736 1.214 . . . . 0.0 114.072 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -119.54 11.16 12.0 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.97 1.308 . . . . 0.0 113.939 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.5 p -135.31 -24.49 1.4 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.687 1.195 . . . . 0.0 114.128 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -88.51 132.02 34.67 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.648 1.179 . . . . 0.0 110.995 175.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.9 mt -129.21 122.03 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.56 1.944 . . . . 0.0 109.15 -169.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -81.29 135.62 35.72 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.338 1.455 . . . . 0.0 108.14 168.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.8 t -137.12 94.48 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.948 0.899 . . . . 0.0 109.463 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.26 -175.74 26.36 Favored Glycine 0 N--CA 1.47 0.947 0 C-N-CA 123.185 0.422 . . . . 0.0 113.467 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.76 13.61 75.16 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.087 0.851 . . . . 0.0 114.024 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.22 147.78 85.8 Favored Pre-proline 0 C--O 1.24 0.58 0 C-N-CA 125.306 1.442 . . . . 0.0 110.67 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -59.13 148.53 85.23 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.677 2.251 . . . . 0.0 111.384 167.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -64.32 -11.42 32.03 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -97.61 -7.44 31.12 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 115.165 1.542 . . . . 0.0 115.165 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.3 m -64.03 136.31 57.19 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.389 1.076 . . . . 0.0 109.438 169.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.3 m -113.44 168.13 10.0 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.022 0.929 . . . . 0.0 112.016 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -59.01 -34.94 72.44 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.333 1.053 . . . . 0.0 112.905 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -65.51 -43.74 89.16 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.413 1.085 . . . . 0.0 111.722 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -62.35 -45.04 94.97 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.179 1.392 . . . . 0.0 110.74 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.29 -35.84 66.19 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.592 0.757 . . . . 0.0 112.696 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -59.03 -44.14 91.7 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.769 0.713 . . . . 0.0 110.804 170.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -70.01 -37.65 75.73 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.782 0.833 . . . . 0.0 112.093 -174.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -64.06 -33.37 75.6 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -83.53 -6.42 59.44 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -67.11 -16.89 64.61 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.758 1.163 . . . . 0.0 113.115 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -69.2 -15.93 63.5 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.045 0.938 . . . . 0.0 113.38 173.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -99.31 -13.84 19.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.675 1.19 . . . . 0.0 113.272 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.85 -162.44 24.96 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.17 1.367 . . . . 0.0 112.864 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -71.57 149.08 46.03 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.099 1.36 . . . . 0.0 112.211 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.9 mt -129.4 137.0 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.276 1.43 . . . . 0.0 109.935 -170.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.69 -50.74 10.16 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.175 0.99 . . . . 0.0 111.463 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -168.61 153.39 6.12 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.874 1.67 . . . . 0.0 109.458 -171.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.0 155.62 45.44 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.838 1.255 . . . . 0.0 110.527 169.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.7 m -149.06 157.74 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.84 1.656 . . . . 0.0 110.8 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.3 t -125.68 132.44 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 168.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.6 mm -80.42 104.66 9.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.841 0.829 . . . . 0.0 110.809 -169.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -110.22 135.5 50.89 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 126.687 1.995 . . . . 0.0 108.3 169.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.445 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 31.2 t0 -53.66 123.65 12.86 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.812 0.845 . . . . 0.0 112.278 -175.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -68.58 1.53 3.08 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -114.07 -23.85 9.31 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.542 1.937 . . . . 0.0 114.006 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.6 p -139.22 -11.85 1.23 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.668 1.587 . . . . 0.0 115.107 -170.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 62.68 14.89 7.59 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.717 2.407 . . . . 0.0 113.791 -176.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -70.35 133.82 47.3 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.956 -1.09 . . . . 0.0 110.779 174.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.3 m -78.58 132.98 37.35 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.077 0.951 . . . . 0.0 111.78 -175.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -88.92 -4.39 58.47 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.46 11.99 76.56 Favored Glycine 0 N--CA 1.475 1.271 0 C-N-CA 124.016 0.817 . . . . 0.0 114.578 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -144.63 165.07 29.07 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.974 1.31 . . . . 0.0 113.813 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -149.41 -171.97 18.54 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 127.119 2.295 . . . . 0.0 112.514 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -134.69 150.98 50.68 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.745 1.618 . . . . 0.0 110.876 175.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.4 t -136.43 137.31 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.867 1.667 . . . . 0.0 108.427 174.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.8 m -121.59 125.32 46.45 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.619 0.767 . . . . 0.0 109.206 175.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 81.5 mmm -90.45 144.99 25.27 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.299 1.04 . . . . 0.0 111.443 -174.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -71.72 -16.93 62.24 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -144.82 149.87 36.17 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.861 1.264 . . . . 0.0 111.019 172.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -56.49 -36.67 69.39 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.253 1.021 . . . . 0.0 112.077 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.92 -17.79 62.07 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 m -80.16 -33.01 38.79 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.288 -0.882 . . . . 0.0 111.208 170.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.22 -36.53 74.61 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.003 -1.06 . . . . 0.0 111.922 170.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -62.76 -21.62 65.97 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -85.58 -39.96 16.78 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.177 0.991 . . . . 0.0 111.796 171.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.48 84.45 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 16.1 p -74.44 -9.67 58.82 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -68.94 -22.42 64.14 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -120.26 101.24 47.06 Favored Pre-proline 0 CA--C 1.544 0.75 0 C-N-CA 124.701 1.201 . . . . 0.0 109.829 172.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.43 -15.4 15.76 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.294 2.662 . . . . 0.0 112.783 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -137.48 71.76 51.85 Favored Pre-proline 0 CA--C 1.554 1.12 0 C-N-CA 125.165 1.386 . . . . 0.0 111.75 -176.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.36 -11.13 16.04 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 124.287 3.324 . . . . 0.0 116.253 -171.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.9 mm 64.46 54.54 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 125.738 1.615 . . . . 0.0 111.424 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.7 mt -70.54 127.02 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.46 1.104 . . . . 0.0 109.819 -177.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 59.09 20.46 8.37 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.813 1.645 . . . . 0.0 114.085 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.19 30.69 10.6 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.497 1.046 . . . . 0.0 114.605 174.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -149.52 140.94 23.29 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.603 1.161 . . . . 0.0 109.902 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.12 102.66 0.31 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.622 0.725 . . . . 0.0 112.227 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.81 168.06 20.27 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.733 1.213 . . . . 0.0 110.723 172.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -136.7 103.69 5.29 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.824 1.65 . . . . 0.0 108.475 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 90.2 t -108.09 128.2 63.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.511 1.524 . . . . 0.0 110.369 -169.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -163.88 156.72 17.92 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.809 1.244 . . . . 0.0 112.613 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.7 mt -53.83 138.98 34.7 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.573 0.749 . . . . 0.0 110.137 169.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -39.16 -79.53 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.337 0 N-CA-C 116.267 1.951 . . . . 0.0 116.267 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -30.81 0.26 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.935 1 N-CA-C 124.224 4.898 . . . . 0.0 124.224 -177.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.5 mt -85.69 -66.38 0.91 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 124.784 3.447 . . . . 0.0 111.808 -169.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -85.16 21.8 11.44 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.365 1.459 . . . . 0.0 113.033 171.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.4 120.04 12.65 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.086 1.355 . . . . 0.0 112.296 -173.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -80.91 151.37 70.53 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.174 1.389 . . . . 0.0 112.499 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.33 129.38 17.95 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.216 2.611 . . . . 0.0 109.214 172.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -162.01 133.23 5.21 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.869 1.268 . . . . 0.0 109.992 -169.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -163.11 148.41 11.63 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.316 1.447 . . . . 0.0 111.078 -172.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -87.48 -20.52 26.44 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.456 1.102 . . . . 0.0 113.46 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.0 p -169.38 141.45 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.057 1.343 . . . . 0.0 111.174 -170.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 . . . . . 0 C--O 1.254 1.298 0 C-N-CA 126.475 1.91 . . . . 0.0 111.308 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.878 1 O4'-C1'-N19 113.14 4.94 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 O4'-C1'-N19 111.762 3.562 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 C5'-C4'-C3' 110.247 -3.502 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 O4'-C1'-N19 111.46 3.26 . 0.786 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.303 0 C3'-C2'-C1' 105.098 3.998 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 O5'-C5'-C4' 114.022 2.73 . 0.199 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -163.29 165.22 24.45 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.594 1.558 . . . . 0.0 111.15 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.3 t -164.44 154.12 13.91 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.976 1.71 . . . . 0.0 111.39 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -99.89 5.23 45.36 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.739 1.616 . . . . 0.0 113.036 170.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.74 167.73 12.75 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.004 1.322 . . . . 0.0 113.44 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -155.95 162.2 27.91 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 126.123 1.769 . . . . 0.0 110.804 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -59.55 146.69 94.46 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.728 2.952 . . . . 0.0 114.024 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.0 m -119.19 42.57 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.831 1.652 . . . . 0.0 110.871 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -158.62 149.85 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.484 1.914 . . . . 0.0 110.003 -170.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.61 -2.72 62.72 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.877 1.227 . . . . 0.0 113.522 -171.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.3 p -161.55 150.27 15.79 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.674 1.99 . . . . 0.0 110.22 176.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.8 mtp85 -148.69 125.01 10.88 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.258 1.423 . . . . 0.0 109.687 -175.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -166.8 167.2 15.23 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.401 1.48 . . . . 0.0 111.12 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.6 p -60.3 -30.39 69.45 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.549 1.539 . . . . 0.0 112.978 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.7 mtp -58.99 -13.34 6.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.837 1.255 . . . . 0.0 113.591 173.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -122.04 -2.56 9.16 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.477 1.511 . . . . 0.0 113.982 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.7 p -143.34 -19.21 0.62 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -174.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -93.32 128.87 39.52 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.809 1.244 . . . . 0.0 110.423 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.1 mt -126.83 119.12 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.44 1.496 . . . . 0.0 109.587 -168.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -79.43 138.63 37.68 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.521 1.128 . . . . 0.0 108.21 168.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.5 t -137.01 89.62 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.117 0.967 . . . . 0.0 109.502 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.74 -179.05 40.65 Favored Glycine 0 N--CA 1.467 0.735 0 C-N-CA 123.122 0.391 . . . . 0.0 113.09 172.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.04 24.03 75.94 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 123.969 0.795 . . . . 0.0 113.711 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.94 143.19 73.88 Favored Pre-proline 0 C--O 1.241 0.63 0 C-N-CA 124.381 1.072 . . . . 0.0 109.402 171.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.78 142.11 62.09 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.595 1.53 . . . . 0.0 108.624 169.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -60.29 -12.76 9.86 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 -168.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -91.53 0.06 57.55 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.663 1.585 . . . . 0.0 114.896 175.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.3 m -66.57 135.05 53.58 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.084 1.354 . . . . 0.0 109.566 173.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.5 m -110.12 168.94 9.06 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.18 0.992 . . . . 0.0 111.847 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -58.58 -33.61 70.16 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.099 -1.001 . . . . 0.0 112.967 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -70.21 -41.51 73.55 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.307 0.643 . . . . 0.0 111.787 172.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 m -57.95 -44.19 86.83 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.236 1.415 . . . . 0.0 110.666 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.62 -37.03 65.53 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -60.09 -41.89 93.45 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.688 -0.632 . . . . 0.0 111.169 172.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -66.33 -38.78 88.45 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.922 0.889 . . . . 0.0 112.122 -176.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -67.02 -31.25 71.67 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -86.63 -6.21 58.92 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -67.15 -17.86 65.03 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.646 1.112 . . . . 0.0 113.284 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -72.01 -19.12 61.91 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.281 1.032 . . . . 0.0 113.004 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -93.56 -16.49 24.36 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.612 1.165 . . . . 0.0 113.46 -175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.21 -146.34 18.31 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 124.586 1.089 . . . . 0.0 113.262 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -86.57 125.92 34.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.26 1.024 . . . . 0.0 112.061 -171.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.9 mt -100.16 130.93 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.793 1.237 . . . . 0.0 109.472 -177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -87.01 -44.09 11.85 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.692 1.597 . . . . 0.0 110.494 177.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -164.41 153.22 13.09 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.451 1.901 . . . . 0.0 109.622 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.73 144.73 28.49 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.861 1.264 . . . . 0.0 110.687 174.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 m -151.29 156.67 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 125.511 1.524 . . . . 0.0 111.487 -173.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.7 t -124.88 136.59 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.392 1.477 . . . . 0.0 107.525 169.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.6 mm -82.99 98.7 5.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-O 121.845 0.831 . . . . 0.0 111.335 -168.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.9 p -122.39 129.0 51.65 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 127.276 2.23 . . . . 0.0 110.286 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.455 ' HA ' ' C5 ' ' B' ' 12' ' ' ' C' . 33.5 t70 -56.29 141.31 41.97 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 -169.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -70.27 -14.26 62.52 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.003 -0.999 . . . . 0.0 113.636 -172.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -120.77 -25.45 5.45 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.342 1.857 . . . . 0.0 114.58 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.5 p -122.52 -13.35 8.01 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -176.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 59.99 11.55 2.7 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.839 2.055 . . . . 0.0 114.807 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 141.66 56.8 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.086 -1.009 . . . . 0.0 111.965 177.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.2 m -89.68 129.41 36.11 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 120.632 -1.292 . . . . 0.0 112.207 -170.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -77.18 -9.74 58.96 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.25 3.26 79.08 Favored Glycine 0 N--CA 1.474 1.188 0 C-N-CA 124.81 1.195 . . . . 0.0 114.175 -174.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -138.82 162.67 34.19 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.41 -171.89 14.66 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 127.812 2.625 . . . . 0.0 112.054 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -136.49 151.61 49.63 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.694 1.598 . . . . 0.0 110.999 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -136.7 134.96 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.617 1.567 . . . . 0.0 108.318 172.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 83.5 m -116.69 131.28 56.99 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 173.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 89.4 mmm -99.9 146.26 26.86 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.564 1.146 . . . . 0.0 110.274 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -68.21 -17.52 64.34 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -152.65 150.79 29.85 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.614 1.166 . . . . 0.0 112.601 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -58.47 -30.53 67.04 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.996 1.319 . . . . 0.0 112.933 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.96 -25.65 61.09 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 176.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.7 m -81.32 -35.85 30.47 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.439 -0.788 . . . . 0.0 110.967 169.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.85 -37.94 85.42 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.74 -42.29 99.6 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.005 0.82 . . . . 0.0 111.483 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -64.86 -33.95 77.23 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.932 0.893 . . . . 0.0 112.004 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.42 -37.27 68.67 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.712 0.805 . . . . 0.0 113.046 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.32 -6.35 59.38 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -63.83 -17.09 62.78 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.489 1.516 . . . . 0.0 114.684 -174.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -131.22 113.9 15.97 Favored Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 126.259 1.823 . . . . 0.0 109.099 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.92 -16.52 12.63 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.95 2.434 . . . . 0.0 113.447 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -132.59 70.1 79.48 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 124.923 1.289 . . . . 0.0 112.154 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.83 -11.71 16.63 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.973 3.115 . . . . 0.0 116.546 -173.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mm 65.43 60.74 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 125.97 1.708 . . . . 0.0 111.281 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.4 mt -72.75 118.32 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.122 -0.986 . . . . 0.0 110.021 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 t70 60.45 18.37 8.13 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.867 2.067 . . . . 0.0 114.67 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.11 32.47 4.96 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.745 1.164 . . . . 0.0 115.833 172.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.25 141.32 21.27 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.67 1.235 . . . . 0.0 109.513 172.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -62.56 110.89 1.84 Allowed 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.602 -0.686 . . . . 0.0 111.116 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -84.55 173.21 10.99 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.661 1.584 . . . . 0.0 111.301 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -143.81 97.73 3.11 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.887 1.675 . . . . 0.0 108.95 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 87.7 t -108.75 129.33 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.141 1.376 . . . . 0.0 110.269 -169.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -159.12 160.53 35.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.091 0.957 . . . . 0.0 113.453 170.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.7 mt -65.23 115.51 5.62 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 169.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -19.39 -75.13 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 127.734 2.414 . . . . 0.0 117.158 -169.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -34.88 2.5 0.0 OUTLIER 'General case' 0 CA--C 1.574 1.9 1 N-CA-C 123.866 4.765 . . . . 0.0 123.866 -176.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.3 mt -84.07 -69.68 0.62 Allowed 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 124.842 3.474 . . . . 0.0 112.029 -168.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -89.45 25.05 11.58 Favored Glycine 0 N--CA 1.472 1.095 0 C-N-CA 125.451 1.501 . . . . 0.0 112.462 170.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.06 138.44 54.39 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.687 1.195 . . . . 0.0 113.806 -169.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -98.36 150.68 36.96 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 125.651 1.581 . . . . 0.0 112.742 -175.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.96 150.88 38.99 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.631 2.888 . . . . 0.0 111.547 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -147.29 150.47 34.86 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.573 1.949 . . . . 0.0 109.475 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -161.1 150.98 17.22 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.134 1.373 . . . . 0.0 111.666 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -78.58 -10.9 59.9 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.451 1.1 . . . . 0.0 112.2 168.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 25.9 t 76.03 121.09 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 128.759 2.824 . . . . 0.0 110.812 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.323 1.849 . . . . 0.0 112.693 -175.357 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 2 O4'-C1'-N19 114.906 6.706 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 0 O4'-C4'-C3' 109.709 3.007 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 C5'-C4'-C3' 109.571 -3.953 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.44 HO2' ' P ' ' B' ' 11' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.54 2.281 1 O4'-C1'-N19 112.874 4.674 . 0.644 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . 0.44 ' P ' HO2' ' B' ' 10' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.547 2.851 1 C5'-C4'-C3' 109.326 -4.116 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.455 ' C5 ' ' HA ' ' A' ' 69' ' ' ASP . . . . . . . . 0 C5'--C4' 1.542 2.494 0 C4'-C3'-C2' 99.972 -2.728 . 0.01 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 112.041 -0.423 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.1 t -163.13 165.14 24.92 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.447 1.499 . . . . 0.0 111.24 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -164.83 161.06 20.12 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.429 1.892 . . . . 0.0 110.747 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -71.68 112.71 8.02 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.095 0.958 . . . . 0.0 111.081 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.05 163.38 23.28 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.046 1.738 . . . . 0.0 111.481 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -72.11 144.54 87.53 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.784 0.834 . . . . 0.0 111.194 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.99 137.91 24.89 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.288 2.659 . . . . 0.0 111.648 -176.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.3 m -78.28 74.2 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.502 1.121 . . . . 0.0 110.621 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -145.14 153.2 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 126.203 1.801 . . . . 0.0 110.98 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.2 158.98 53.56 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.334 0.969 . . . . 0.0 113.982 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 t -168.08 -173.02 1.93 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.494 1.917 . . . . 0.0 110.276 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -64.21 147.5 52.22 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.423 1.489 . . . . 0.0 113.164 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 73.87 143.48 0.07 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 129.84 3.256 . . . . 0.0 115.618 174.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.6 p -80.48 -5.05 56.03 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.243 1.817 . . . . 0.0 114.203 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 37.8 mtt -51.99 -24.58 6.78 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.116 1.366 . . . . 0.0 113.64 175.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -107.53 -1.99 20.79 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.53 1.532 . . . . 0.0 113.84 -175.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.4 p -130.58 -22.12 2.74 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.748 1.219 . . . . 0.0 113.633 -174.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -86.43 126.05 34.12 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.361 1.064 . . . . 0.0 109.982 169.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.6 mt -125.73 119.64 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 126.01 1.724 . . . . 0.0 108.801 -169.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -80.64 139.57 36.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.491 1.516 . . . . 0.0 108.949 169.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.92 97.8 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.992 0.917 . . . . 0.0 109.375 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -107.71 -176.98 22.41 Favored Glycine 0 N--CA 1.471 0.975 0 C-N-CA 123.152 0.406 . . . . 0.0 113.26 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.94 16.4 74.69 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.168 0.89 . . . . 0.0 113.799 -174.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.6 mt -71.16 145.64 91.41 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 125.133 1.373 . . . . 0.0 109.744 174.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -71.28 149.42 57.25 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.001 1.8 . . . . 0.0 109.412 169.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -64.18 -9.41 16.72 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -170.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -92.68 -5.73 50.76 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -65.12 139.22 58.67 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.827 1.251 . . . . 0.0 109.957 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -113.58 168.79 9.47 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.63 1.172 . . . . 0.0 112.23 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -58.32 -32.68 68.7 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.966 0.906 . . . . 0.0 112.157 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -72.0 -45.07 62.28 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.462 1.105 . . . . 0.0 111.279 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.5 m -54.58 -45.3 73.54 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.856 1.262 . . . . 0.0 110.888 176.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 tp -74.92 -38.24 61.85 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -59.77 -43.02 94.53 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.773 0.715 . . . . 0.0 111.084 172.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -69.19 -37.23 78.02 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.252 1.021 . . . . 0.0 111.663 -174.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -66.59 -31.53 72.29 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.415 -0.803 . . . . 0.0 113.022 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -84.23 -8.43 59.05 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.21 -16.41 64.28 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.673 1.124 . . . . 0.0 113.193 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -72.95 -15.56 61.56 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.243 1.017 . . . . 0.0 113.229 175.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -98.34 -16.18 19.44 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.509 1.124 . . . . 0.0 113.28 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.33 -145.04 16.39 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 124.416 1.008 . . . . 0.0 113.493 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -92.52 132.47 36.8 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.469 1.107 . . . . 0.0 112.271 -169.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.9 mt -111.47 126.56 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.831 1.253 . . . . 0.0 109.893 -172.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -82.88 -44.76 15.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.028 1.731 . . . . 0.0 110.612 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -166.1 152.07 8.98 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.635 1.974 . . . . 0.0 109.211 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.16 147.3 29.3 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.79 1.236 . . . . 0.0 110.983 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.1 m -150.82 157.85 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.664 1.586 . . . . 0.0 111.422 -174.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.0 t -127.61 137.45 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.399 1.479 . . . . 0.0 107.299 168.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.0 mm -83.89 95.34 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 C-N-CA 124.268 1.027 . . . . 0.0 108.983 -169.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 p -123.74 116.77 23.57 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 129.367 3.067 . . . . 0.0 108.53 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -39.7 135.42 1.2 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -165.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -52.67 -24.4 8.46 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.043 1.337 . . . . 0.0 114.339 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -121.31 -43.36 2.42 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.172 1.789 . . . . 0.0 113.299 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.2 p -96.09 -15.76 21.98 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 61.09 13.45 4.69 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.639 1.976 . . . . 0.0 113.811 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.13 139.87 39.01 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.905 -1.122 . . . . 0.0 110.961 173.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.7 t -76.11 144.45 40.67 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.222 -0.924 . . . . 0.0 113.267 -173.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -88.83 -0.14 57.08 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.232 1.413 . . . . 0.0 113.157 169.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.39 8.19 68.58 Favored Glycine 0 N--CA 1.475 1.242 0 C-N-CA 124.998 1.285 . . . . 0.0 114.911 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -147.98 168.96 20.94 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.943 1.297 . . . . 0.0 114.122 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.27 -173.02 22.09 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 127.888 2.661 . . . . 0.0 112.326 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -138.26 150.58 46.81 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.741 1.616 . . . . 0.0 111.236 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.1 t -136.6 133.74 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.818 1.647 . . . . 0.0 108.3 172.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.5 m -114.91 128.64 56.41 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.046 0.938 . . . . 0.0 108.524 174.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 80.1 mmm -96.35 145.09 25.92 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.288 1.035 . . . . 0.0 110.74 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -69.81 -17.01 63.38 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -152.39 150.36 29.6 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.972 1.309 . . . . 0.0 111.068 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -58.91 -29.19 66.89 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.805 1.242 . . . . 0.0 112.768 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.1 -27.11 69.16 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.347 1.059 . . . . 0.0 113.578 173.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -85.66 -32.02 22.21 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.49 0.716 . . . . 0.0 111.754 175.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.91 -37.92 67.07 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 120.985 -1.072 . . . . 0.0 112.869 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -60.87 -33.97 73.9 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.967 0.907 . . . . 0.0 111.793 171.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -73.55 -33.12 64.54 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.719 0.808 . . . . 0.0 112.734 172.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.46 68.01 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.6 p -73.94 -7.0 50.73 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -65.92 -22.64 66.51 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -122.07 90.24 48.76 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 126.068 1.747 . . . . 0.0 110.15 175.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -66.26 -34.04 37.22 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.573 2.849 . . . . 0.0 112.748 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -122.11 79.0 43.03 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.506 1.123 . . . . 0.0 111.822 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -80.73 -15.54 10.76 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.997 3.131 . . . . 0.0 115.687 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mm 63.79 55.15 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.715 1.606 . . . . 0.0 111.024 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.8 mt -69.79 117.99 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 O-C-N 121.098 -1.002 . . . . 0.0 109.775 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.71 22.27 9.8 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.536 1.935 . . . . 0.0 114.47 176.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.28 35.43 5.0 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.627 1.108 . . . . 0.0 115.576 170.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.2 ttt85 -151.72 141.2 21.6 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.765 1.282 . . . . 0.0 110.394 169.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -64.64 102.79 0.6 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.727 0.775 . . . . 0.0 111.85 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.6 164.95 20.47 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.948 1.299 . . . . 0.0 111.54 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -130.11 103.88 7.0 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.662 1.985 . . . . 0.0 108.893 175.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.0 t -97.92 126.17 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.198 1.799 . . . . 0.0 109.06 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -163.25 159.67 23.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.186 0.994 . . . . 0.0 112.702 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.9 mt -53.8 148.53 9.98 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.604 0.762 . . . . 0.0 110.61 170.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -49.69 -94.44 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 125.79 1.636 . . . . 0.0 115.414 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -28.93 7.95 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.039 1 N-CA-C 124.672 5.064 . . . . 0.0 124.672 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.1 mt -86.18 -78.7 0.27 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 124.11 3.141 . . . . 0.0 112.372 -169.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -85.92 22.3 12.36 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 125.719 1.628 . . . . 0.0 112.931 173.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.27 150.84 48.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.432 1.893 . . . . 0.0 113.053 -174.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -135.74 135.71 22.33 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.32 1.048 . . . . 0.0 112.669 -169.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -69.22 144.13 55.84 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.787 2.991 . . . . 0.0 113.27 -169.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -110.19 2.07 19.11 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.127 1.771 . . . . 0.0 113.368 176.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 37.8 m -140.3 141.37 35.75 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.846 1.659 . . . . 0.0 110.391 -169.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -157.03 146.71 20.6 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.793 1.637 . . . . 0.0 110.758 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 58.8 t -145.29 123.23 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 126.045 1.738 . . . . 0.0 108.574 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.286 1.834 . . . . 0.0 111.483 -176.204 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 1 C3'-C2'-C1' 105.393 4.325 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 O4'-C1'-N19 111.69 3.49 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 0 C5'-C4'-C3' 110.171 -3.552 . 0.598 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.81 0 C3'-C2'-C1' 98.67 -3.145 . 0.354 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.548 1 C3'-C2'-C1' 106.285 5.316 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.425 0 O4'-C1'-N19 111.178 2.978 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 112.021 -0.432 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.1 t -163.24 177.62 8.87 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.504 1.521 . . . . 0.0 111.273 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -147.74 7.14 0.83 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.275 1.83 . . . . 0.0 113.209 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -158.65 142.15 15.06 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.818 1.247 . . . . 0.0 111.828 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.84 152.66 17.81 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.449 1.899 . . . . 0.0 110.762 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -146.11 159.76 45.05 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 125.513 1.525 . . . . 0.0 110.757 -177.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -66.41 54.28 0.38 Allowed 'Trans proline' 0 CA--C 1.549 1.257 1 C-N-CA 125.43 4.086 . . . . 0.0 115.573 179.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.2 p -156.98 120.86 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.958 1.703 . . . . 0.0 109.692 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 p -170.53 148.93 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 126.024 1.73 . . . . 0.0 110.228 -171.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.12 171.17 43.06 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 124.746 1.165 . . . . 0.0 114.308 174.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -67.67 -3.65 9.72 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.357 1.463 . . . . 0.0 114.393 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -66.94 -6.7 17.75 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.66 1.984 . . . . 0.0 115.253 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -140.95 144.74 35.31 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.247 1.819 . . . . 0.0 111.029 175.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.3 p -73.56 -13.55 61.05 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.293 1.437 . . . . 0.0 113.988 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 48.4 ttm -51.29 -29.95 16.51 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.998 1.719 . . . . 0.0 113.621 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -111.3 0.34 16.66 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.5 p -124.9 -18.91 5.39 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -85.89 125.33 33.25 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.869 1.268 . . . . 0.0 110.562 170.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.6 mt -126.52 119.32 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 126.28 1.832 . . . . 0.0 108.867 -170.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -82.71 135.88 34.89 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.135 1.374 . . . . 0.0 108.324 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -136.11 90.54 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.722 0.809 . . . . 0.0 109.68 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -98.37 -171.02 32.01 Favored Glycine 0 N--CA 1.468 0.792 0 C-N-CA 123.122 0.391 . . . . 0.0 113.308 175.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.14 7.51 82.07 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 123.839 0.733 . . . . 0.0 114.872 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.41 149.64 97.19 Favored Pre-proline 0 C--O 1.242 0.677 0 C-N-CA 125.544 1.538 . . . . 0.0 111.328 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.51 143.23 34.17 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.383 2.055 . . . . 0.0 108.659 168.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.06 -9.63 11.14 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -171.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -90.77 1.23 57.07 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.33 1.452 . . . . 0.0 114.804 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.0 m -69.61 134.08 48.35 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.936 1.294 . . . . 0.0 109.651 173.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.7 m -110.76 170.09 8.33 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.272 1.029 . . . . 0.0 112.075 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -56.97 -41.26 78.03 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.327 1.051 . . . . 0.0 112.161 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -71.39 -34.72 70.64 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.706 0.803 . . . . 0.0 112.313 175.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -58.54 -41.22 85.06 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.753 1.221 . . . . 0.0 110.803 176.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.2 tp -72.97 -40.15 65.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.61 0.764 . . . . 0.0 112.305 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -59.69 -38.14 80.74 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.692 -0.63 . . . . 0.0 111.862 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.4 -15.21 61.84 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.953 1.301 . . . . 0.0 113.374 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -90.98 -41.24 11.22 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.237 0.926 . . . . 0.0 112.529 170.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -77.72 -14.68 59.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -174.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -7.83 46.8 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -76.92 -17.39 58.95 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.824 0.85 . . . . 0.0 113.037 171.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -95.61 -11.88 26.53 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.584 1.154 . . . . 0.0 113.386 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.84 -149.07 20.24 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 125.003 1.287 . . . . 0.0 112.755 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -87.3 120.75 28.91 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.907 0.883 . . . . 0.0 112.277 -170.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -89.44 131.17 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.534 1.134 . . . . 0.0 109.608 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -85.26 -43.59 13.62 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.685 1.594 . . . . 0.0 110.078 172.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -161.39 147.62 14.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.59 1.956 . . . . 0.0 109.315 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.13 132.79 19.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.559 1.144 . . . . 0.0 110.221 174.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.8 m -151.19 157.51 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.045 1.338 . . . . 0.0 111.936 -170.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.4 t -115.85 137.16 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.148 1.779 . . . . 0.0 108.229 172.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.4 mm -74.91 104.98 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.489 0.662 . . . . 0.0 109.855 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.5 p -123.42 135.45 54.12 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 127.059 2.143 . . . . 0.0 108.941 177.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -60.83 138.08 58.16 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -173.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 35.9 ptt85 -61.93 -19.35 62.62 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.389 1.625 . . . . 0.0 115.389 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -115.18 -31.56 5.96 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.164 1.386 . . . . 0.0 113.589 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.6 p -113.64 -16.64 12.31 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.6 1.56 . . . . 0.0 114.185 -176.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 60.67 13.44 4.3 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.804 2.042 . . . . 0.0 114.012 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.72 132.32 45.19 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.036 -1.04 . . . . 0.0 110.89 176.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.3 t -71.1 139.87 50.48 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.332 -0.855 . . . . 0.0 111.27 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -90.64 2.23 56.08 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.68 9.39 66.47 Favored Glycine 0 N--CA 1.474 1.207 0 C-N-CA 124.567 1.08 . . . . 0.0 114.52 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -149.56 162.25 40.55 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.408 1.483 . . . . 0.0 113.982 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.05 -174.21 18.92 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 127.432 2.444 . . . . 0.0 112.521 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -133.92 146.98 51.02 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.909 1.684 . . . . 0.0 111.043 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.88 133.7 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 125.66 1.584 . . . . 0.0 108.182 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.8 m -118.59 130.51 55.93 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 172.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.5 mmm -99.92 148.15 24.79 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.279 1.032 . . . . 0.0 110.798 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -68.18 -18.34 64.57 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -154.06 150.17 27.93 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.933 1.293 . . . . 0.0 111.93 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -55.92 -32.42 63.76 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.471 1.509 . . . . 0.0 112.631 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.58 -21.93 63.57 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.8 m -86.58 -30.73 21.63 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.895 -1.128 . . . . 0.0 112.038 172.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.98 -35.77 56.95 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -64.61 -36.62 84.85 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.06 0.845 . . . . 0.0 111.691 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -67.36 -24.78 65.74 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.457 1.103 . . . . 0.0 113.142 172.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.74 -32.0 28.12 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.954 0.902 . . . . 0.0 113.33 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.1 p -78.79 -3.5 44.72 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -61.98 -26.89 68.48 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -177.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -129.56 111.28 17.68 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 125.628 1.571 . . . . 0.0 109.961 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.66 -15.92 15.09 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.918 2.412 . . . . 0.0 113.145 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -130.29 73.01 81.69 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.761 1.225 . . . . 0.0 112.415 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.59 -13.46 14.77 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.125 3.216 . . . . 0.0 116.094 -174.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 64.53 58.54 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 125.902 1.681 . . . . 0.0 111.268 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.2 mt -71.69 119.32 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 121.134 -0.979 . . . . 0.0 109.853 -175.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.4 t0 58.22 25.42 12.59 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.616 1.966 . . . . 0.0 114.047 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.14 32.97 7.14 Favored Glycine 0 CA--C 1.534 1.24 0 N-CA-C 115.583 0.993 . . . . 0.0 115.583 171.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -151.71 143.3 23.57 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 118.553 1.177 . . . . 0.0 109.597 170.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -61.79 103.46 0.35 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.45 0.643 . . . . 0.0 111.921 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.59 164.18 25.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.05 1.34 . . . . 0.0 110.778 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -132.06 98.59 4.47 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.364 1.866 . . . . 0.0 108.446 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.4 t -101.0 127.92 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.561 1.544 . . . . 0.0 109.824 -174.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -163.81 157.49 18.96 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.453 1.101 . . . . 0.0 112.585 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.06 147.44 29.57 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.6 -0.687 . . . . 0.0 109.781 169.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.25 -87.27 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -29.35 2.74 0.0 OUTLIER 'General case' 0 CA--C 1.577 2.015 1 N-CA-C 124.624 5.046 . . . . 0.0 124.624 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.1 mt -82.94 -74.62 0.35 Allowed 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 124.349 3.25 . . . . 0.0 112.231 -168.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -89.88 17.53 52.48 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 125.648 1.594 . . . . 0.0 112.507 169.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.0 153.15 44.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.176 1.391 . . . . 0.0 113.133 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -132.73 156.24 80.3 Favored Pre-proline 0 CA--C 1.551 1.006 0 C-N-CA 126.378 1.871 . . . . 0.0 112.137 -169.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -70.68 143.08 45.45 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.298 2.665 . . . . 0.0 111.552 -177.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -104.1 -3.59 24.3 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.767 1.627 . . . . 0.0 112.397 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 37.2 p -146.66 166.36 26.79 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.897 2.479 . . . . 0.0 110.605 -173.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -156.01 158.33 37.66 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.025 1.33 . . . . 0.0 111.371 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.7 p -166.28 -35.62 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 126.153 1.781 . . . . 0.0 112.802 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.617 1.567 . . . . 0.0 111.424 -178.687 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 1 O4'-C1'-N19 115.898 7.698 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.236 0 O4'-C1'-N19 112.184 3.984 . 0.082 5z . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.445 -3.255 . 0.358 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 O4'-C1'-N19 111.378 3.178 . 0.761 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.27 1 C3'-C2'-C1' 105.95 4.945 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 100.725 -1.975 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.5 m -127.41 7.33 6.39 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -170.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.0 m -69.75 139.48 53.32 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.473 1.509 . . . . 0.0 110.637 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -74.57 -0.82 18.96 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -175.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.86 169.75 22.05 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.998 2.119 . . . . 0.0 111.006 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -135.2 112.79 11.21 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.199 1.4 . . . . 0.0 109.471 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -61.24 135.76 60.22 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.657 2.904 . . . . 0.0 112.631 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.8 p -165.51 137.0 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.801 1.64 . . . . 0.0 109.894 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.7 m -148.25 144.47 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.658 1.583 . . . . 0.0 110.625 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.92 -176.82 48.76 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.56 1.076 . . . . 0.0 114.304 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.6 p -99.8 -0.46 39.78 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.44 1.496 . . . . 0.0 113.957 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -143.16 157.83 44.16 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.469 1.908 . . . . 0.0 111.217 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -154.83 170.8 20.81 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.811 1.644 . . . . 0.0 110.926 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.5 p -113.88 8.06 17.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.603 1.561 . . . . 0.0 113.992 -169.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 45.6 mtt -56.04 -11.56 1.13 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.593 1.557 . . . . 0.0 114.747 174.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -122.13 5.37 9.78 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.73 1.612 . . . . 0.0 113.243 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.3 p -139.78 -26.95 0.78 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -174.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -85.22 140.21 31.06 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.749 1.22 . . . . 0.0 110.782 170.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.6 mt -141.22 119.15 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.193 1.397 . . . . 0.0 110.035 -168.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.68 138.19 37.29 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.783 1.633 . . . . 0.0 107.967 167.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.6 t -138.11 92.89 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 123.933 0.893 . . . . 0.0 108.967 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.26 -176.8 27.63 Favored Glycine 0 N--CA 1.47 0.94 0 C-N-CA 123.201 0.429 . . . . 0.0 113.141 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.55 19.02 76.04 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 123.617 0.627 . . . . 0.0 113.284 -174.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.6 mt -73.06 144.52 85.08 Favored Pre-proline 0 C--O 1.241 0.635 0 C-N-CA 124.683 1.193 . . . . 0.0 109.447 173.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.94 145.5 56.27 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 121.794 1.663 . . . . 0.0 108.767 169.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -62.5 -11.58 17.1 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -170.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -93.76 -5.34 48.55 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.505 1.522 . . . . 0.0 115.049 176.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.4 m -67.61 131.89 46.49 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.403 1.081 . . . . 0.0 108.83 169.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.1 m -110.34 171.37 7.5 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.264 1.025 . . . . 0.0 112.361 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.29 -40.3 70.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.204 1.401 . . . . 0.0 112.033 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -69.76 -40.72 75.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.749 1.22 . . . . 0.0 112.493 174.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -57.64 -43.08 84.61 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.086 1.354 . . . . 0.0 110.632 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.5 tp -72.66 -38.28 67.68 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.734 0.814 . . . . 0.0 112.628 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -61.28 -38.64 87.48 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.559 -0.713 . . . . 0.0 111.627 172.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -76.26 -11.45 59.91 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.58 1.152 . . . . 0.0 113.109 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -89.97 -43.54 10.49 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.932 0.787 . . . . 0.0 112.171 169.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -77.83 -13.28 59.94 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -174.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -7.49 44.07 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -74.61 -18.84 60.5 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.676 0.79 . . . . 0.0 112.732 169.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -94.94 -13.11 25.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.815 1.246 . . . . 0.0 113.195 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 139.0 -145.54 16.86 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 124.854 1.216 . . . . 0.0 112.793 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -92.17 131.58 37.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.302 1.041 . . . . 0.0 112.436 -170.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.2 mt -106.05 132.86 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.273 1.429 . . . . 0.0 110.09 -176.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.45 -47.58 17.19 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.907 1.283 . . . . 0.0 110.793 169.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -165.31 149.27 8.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.663 1.985 . . . . 0.0 109.373 -175.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.27 141.37 28.54 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.017 1.327 . . . . 0.0 110.453 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.9 m -149.6 159.12 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.341 1.456 . . . . 0.0 111.764 -172.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.2 t -122.01 137.39 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.13 1.772 . . . . 0.0 108.54 169.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.8 mm -81.9 96.15 3.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 122.32 1.057 . . . . 0.0 110.75 -174.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.2 p -106.15 128.33 53.84 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 126.941 2.097 . . . . 0.0 107.28 168.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.404 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 22.3 t70 -50.39 131.42 24.47 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -170.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -73.69 8.23 2.02 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -174.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -126.0 -31.13 2.9 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.133 2.173 . . . . 0.0 113.184 177.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.9 p -127.03 -15.56 5.29 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 126.788 2.035 . . . . 0.0 114.633 -172.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 62.16 15.81 7.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.985 2.114 . . . . 0.0 113.931 -177.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -66.53 133.68 50.85 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.171 -0.955 . . . . 0.0 110.318 170.295 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 t -79.67 138.44 37.37 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.815 -1.178 . . . . 0.0 111.993 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -90.26 -4.42 57.18 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 173.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.69 15.13 78.57 Favored Glycine 0 N--CA 1.475 1.28 0 CA-C-N 119.405 1.002 . . . . 0.0 114.418 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -143.65 163.25 33.76 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.16 1.384 . . . . 0.0 113.503 173.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.31 -172.56 16.75 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 126.713 2.102 . . . . 0.0 112.807 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -133.32 149.34 51.91 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 125.773 1.629 . . . . 0.0 111.126 175.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.3 t -136.88 136.8 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 126.028 1.731 . . . . 0.0 107.943 173.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -123.88 132.4 53.74 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.949 0.9 . . . . 0.0 108.584 175.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 78.9 mmm -101.19 149.66 23.76 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.661 1.184 . . . . 0.0 111.206 -173.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -67.21 -21.86 65.74 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -154.54 152.48 30.11 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.84 1.256 . . . . 0.0 111.952 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -56.78 -30.21 63.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.762 1.225 . . . . 0.0 112.782 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.8 -20.12 63.46 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.8 m -88.67 -35.16 16.94 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.909 -1.119 . . . . 0.0 111.465 169.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.5 -34.67 74.65 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -63.1 -40.47 97.74 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.039 0.836 . . . . 0.0 111.776 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -67.21 -31.49 71.91 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.524 1.129 . . . . 0.0 111.905 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.0 65.35 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.841 0.856 . . . . 0.0 112.897 174.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.6 p -85.36 -4.17 59.07 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -58.41 -26.17 62.96 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.113 1.765 . . . . 0.0 114.258 -172.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -137.27 129.65 16.89 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 126.109 1.764 . . . . 0.0 109.58 169.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.79 -14.47 13.93 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.993 2.462 . . . . 0.0 114.09 -173.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -128.52 78.03 76.41 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 124.692 1.197 . . . . 0.0 112.31 -173.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -78.94 -15.38 13.2 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.066 3.177 . . . . 0.0 115.648 -175.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.1 mm 67.25 60.44 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 126.042 1.737 . . . . 0.0 111.402 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.8 mt -72.95 119.59 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.282 1.033 . . . . 0.0 110.529 -174.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 t70 61.57 18.22 9.29 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.87 2.068 . . . . 0.0 114.301 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.78 30.88 6.25 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.873 1.225 . . . . 0.0 115.413 174.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -152.19 141.07 21.07 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.346 1.458 . . . . 0.0 109.914 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -62.79 104.14 0.51 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.228 0.611 . . . . 0.0 112.323 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.21 165.45 20.45 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.59 1.156 . . . . 0.0 110.804 171.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -137.17 100.27 4.22 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.495 1.518 . . . . 0.0 109.148 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.0 t -93.68 129.6 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.936 1.294 . . . . 0.0 110.287 -171.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -144.83 143.08 30.44 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.098 1.359 . . . . 0.0 110.958 -173.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.16 32.52 0.08 Allowed 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.297 1.839 . . . . 0.0 114.48 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 69.46 -79.87 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 127.323 2.249 . . . . 0.0 110.954 -170.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.8 29.93 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.842 0 N-CA-C 120.043 3.349 . . . . 0.0 120.043 -176.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.1 mt -105.48 -85.3 0.49 Allowed 'General case' 0 C--N 1.353 0.747 0 CA-C-N 122.318 2.326 . . . . 0.0 110.659 -169.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.96 21.92 24.89 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.87 1.7 . . . . 0.0 113.137 172.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.23 155.61 27.88 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.473 1.509 . . . . 0.0 113.225 -177.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -132.82 153.98 81.25 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.623 1.569 . . . . 0.0 112.491 -170.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -70.85 162.43 42.64 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.346 2.697 . . . . 0.0 111.277 173.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -139.82 120.52 14.3 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.989 1.315 . . . . 0.0 110.401 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 35.7 p -105.22 -16.53 14.75 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.642 1.577 . . . . 0.0 113.817 -175.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -76.96 37.06 0.18 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.413 1.485 . . . . 0.0 113.384 -176.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.3 m -153.34 149.88 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 127.57 2.348 . . . . 0.0 110.26 -171.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 . . . . . 0 C--O 1.251 1.182 0 C-N-CA 126.594 1.957 . . . . 0.0 111.206 -178.851 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 1 O4'-C1'-N19 113.132 4.932 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 O4'-C1'-N19 111.99 3.79 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.24 1 C5'-C4'-C3' 109.119 -4.254 . 0.01 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 O4'-C1'-N19 111.082 2.882 . 0.624 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.46 0 C3'-C2'-C1' 104.961 3.846 . 0.053 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C3'-C2'-C1' 104.349 3.165 . 0.25 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 112.137 -0.385 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.9 m -88.92 -4.74 58.37 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 -177.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.4 t -164.06 160.12 21.3 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.925 2.09 . . . . 0.0 110.192 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -163.76 154.06 15.37 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.962 1.705 . . . . 0.0 112.195 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.6 159.52 30.59 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.012 1.725 . . . . 0.0 111.021 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.62 -23.5 0.68 Allowed Pre-proline 0 CA--C 1.553 1.085 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -68.7 118.56 5.74 Favored 'Trans proline' 0 C--N 1.357 0.979 0 CA-C-N 122.855 2.055 . . . . 0.0 111.358 175.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 80.1 t -146.23 119.77 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.556 1.542 . . . . 0.0 108.547 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.3 p -97.4 -4.64 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 124.664 1.185 . . . . 0.0 113.676 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.35 143.17 16.37 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.213 1.387 . . . . 0.0 112.474 178.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.8 m -78.76 -7.96 58.29 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.99 163.03 9.36 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.279 2.232 . . . . 0.0 111.721 176.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -87.13 -162.78 0.83 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.919 1.688 . . . . 0.0 110.685 171.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.9 p -93.15 -106.58 0.12 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.23 1.412 . . . . 0.0 110.732 -175.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 41.8 ttm 65.46 -62.03 0.23 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.815 2.846 . . . . 0.0 113.183 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -76.84 -17.91 58.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.57 1.548 . . . . 0.0 113.022 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.0 p -102.66 -11.95 18.05 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.557 1.543 . . . . 0.0 113.459 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -93.9 127.34 39.61 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.65 0.78 . . . . 0.0 112.089 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.7 mt -128.31 122.54 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.312 1.445 . . . . 0.0 110.033 -168.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -85.34 139.08 31.86 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.478 1.511 . . . . 0.0 108.747 169.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -136.48 87.27 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.306 1.042 . . . . 0.0 109.592 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -93.27 -176.88 40.49 Favored Glycine 0 N--CA 1.468 0.828 0 C-N-CA 123.665 0.65 . . . . 0.0 113.38 174.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.84 14.05 75.55 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.661 1.124 . . . . 0.0 114.443 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.43 148.09 93.11 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 125.16 1.384 . . . . 0.0 110.376 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -72.35 144.53 41.31 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 122.145 1.896 . . . . 0.0 108.859 168.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -61.55 -13.75 24.09 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -169.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -85.51 -4.88 59.29 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.1 m -66.75 135.43 53.97 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.899 1.28 . . . . 0.0 109.59 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.9 m -113.47 169.18 9.15 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.18 0.992 . . . . 0.0 112.187 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -55.6 -37.59 68.32 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.657 1.183 . . . . 0.0 112.736 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -65.98 -45.42 81.73 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.072 0.949 . . . . 0.0 111.748 172.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.9 m -57.42 -43.74 84.08 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.437 1.495 . . . . 0.0 111.068 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.6 tp -74.54 -38.13 62.83 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -59.67 -40.46 87.89 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.529 0.604 . . . . 0.0 111.267 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.85 -14.79 61.58 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.631 1.173 . . . . 0.0 113.318 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -88.98 -42.36 11.83 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.175 0.898 . . . . 0.0 112.063 169.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -79.72 -15.89 56.68 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -6.32 34.91 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -75.84 -17.11 59.94 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.427 -0.795 . . . . 0.0 112.331 169.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -104.96 -20.3 13.58 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.373 1.469 . . . . 0.0 113.127 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.65 -166.27 34.53 Favored Glycine 0 C--N 1.34 0.77 0 N-CA-C 117.732 1.853 . . . . 0.0 117.732 -169.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -96.11 -24.65 16.2 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 117.713 2.486 . . . . 0.0 117.713 -167.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.0 mt 58.37 117.23 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 C-N-CA 129.337 3.055 . . . . 0.0 115.883 175.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -72.25 -45.03 61.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.326 1.45 . . . . 0.0 111.437 168.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -163.1 144.56 9.78 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.841 2.056 . . . . 0.0 108.696 -175.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.24 140.35 32.24 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.008 1.323 . . . . 0.0 110.008 172.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.1 m -153.36 159.86 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.191 1.396 . . . . 0.0 112.015 -170.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.7 t -128.1 132.18 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.476 1.51 . . . . 0.0 107.425 168.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.5 mm -81.76 114.05 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 124.063 0.945 . . . . 0.0 111.859 -168.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.2 p -122.36 131.51 53.93 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.659 1.984 . . . . 0.0 109.422 173.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.16 138.22 45.14 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -172.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -55.18 -26.35 38.4 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -116.91 -41.36 3.04 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.991 1.317 . . . . 0.0 112.792 -173.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.4 p -98.3 -15.92 19.58 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 60.74 15.34 5.77 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.171 1.788 . . . . 0.0 113.062 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.21 132.95 48.8 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.161 -0.962 . . . . 0.0 110.158 174.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.0 t -73.39 136.84 44.38 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.579 -0.7 . . . . 0.0 110.3 173.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -85.45 -2.2 57.86 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 172.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.16 11.72 83.23 Favored Glycine 0 N--CA 1.471 1.002 0 CA-C-N 119.031 0.832 . . . . 0.0 113.971 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -138.62 158.32 44.46 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.657 1.183 . . . . 0.0 114.06 174.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.4 -172.9 13.97 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 127.315 2.388 . . . . 0.0 112.207 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -135.8 151.93 50.57 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.446 1.498 . . . . 0.0 110.689 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.6 t -137.78 131.29 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 125.487 1.515 . . . . 0.0 107.983 169.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.6 m -115.12 129.42 56.67 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 78.2 mmm -96.3 149.63 21.46 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.508 1.123 . . . . 0.0 111.198 -175.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -70.67 -24.48 62.69 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.25 157.12 43.79 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.928 0.891 . . . . 0.0 113.247 174.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -60.15 -27.15 66.85 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.346 -0.846 . . . . 0.0 112.564 174.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.12 -19.92 64.04 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 174.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.41 -31.66 14.54 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.079 -1.013 . . . . 0.0 112.074 169.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.41 86.87 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.198 -0.938 . . . . 0.0 113.242 173.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.55 -37.62 88.19 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.51 0.595 . . . . 0.0 111.873 174.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -68.22 -34.01 75.46 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.69 1.196 . . . . 0.0 112.388 173.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.83 -29.85 61.19 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.8 p -83.13 -2.57 55.79 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -62.46 -25.5 68.02 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -175.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -126.92 110.64 22.03 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.307 1.443 . . . . 0.0 109.882 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -78.11 -15.79 14.39 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.01 2.473 . . . . 0.0 113.079 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -134.1 71.37 73.23 Favored Pre-proline 0 CA--C 1.554 1.127 0 C-N-CA 125.243 1.417 . . . . 0.0 111.911 -176.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -77.21 -12.47 17.35 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 124.276 3.317 . . . . 0.0 116.31 -172.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mm 64.24 56.33 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 125.907 1.683 . . . . 0.0 111.291 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.5 118.17 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 121.096 -1.003 . . . . 0.0 110.044 -174.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.01 20.87 9.97 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.611 1.964 . . . . 0.0 114.454 176.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.85 35.14 4.95 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.746 1.165 . . . . 0.0 115.415 171.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.2 ttt85 -152.82 142.88 22.3 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.522 1.161 . . . . 0.0 109.893 170.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.51 103.59 0.43 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.474 0.654 . . . . 0.0 111.607 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.69 166.45 22.97 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.196 0.999 . . . . 0.0 110.607 172.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -132.84 108.86 9.23 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.651 1.58 . . . . 0.0 108.535 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.3 t -109.94 122.4 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.906 1.282 . . . . 0.0 109.901 -173.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -163.03 168.27 21.24 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.52 1.528 . . . . 0.0 111.727 173.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.68 155.4 15.85 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.436 -0.79 . . . . 0.0 111.519 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.11 -90.51 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 125.613 1.565 . . . . 0.0 114.983 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -31.09 7.52 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.032 1 N-CA-C 123.819 4.748 . . . . 0.0 123.819 174.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.8 mt -90.39 -77.79 0.39 Allowed 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 124.451 3.296 . . . . 0.0 112.26 -169.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -84.28 17.94 25.95 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.469 1.509 . . . . 0.0 112.761 172.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.63 147.98 51.98 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.643 1.577 . . . . 0.0 112.941 -174.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -107.25 150.65 40.22 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 125.549 1.54 . . . . 0.0 112.275 -174.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -73.2 144.66 37.68 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.225 2.617 . . . . 0.0 111.345 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -131.35 15.92 5.0 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.076 1.75 . . . . 0.0 111.735 178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.3 p -151.13 171.4 17.43 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 129.002 2.921 . . . . 0.0 109.572 -171.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -62.9 130.52 45.17 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.08 0.552 . . . . 0.0 111.549 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 16.4 m -146.45 146.93 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 126.401 1.88 . . . . 0.0 110.27 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.973 1.709 . . . . 0.0 111.565 -175.114 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 1 C3'-C2'-C1' 105.632 4.591 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.361 0 O4'-C1'-N19 111.819 3.619 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C5'-C4'-C3' 110.704 -3.197 . 0.578 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.237 0 O4'-C1'-N19 111.28 3.08 . 0.772 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 1 C3'-C2'-C1' 106.171 5.19 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.82 0 O5'-C5'-C4' 113.597 2.426 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.437 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.0 m -78.69 2.94 17.87 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -169.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -160.94 158.34 27.95 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.17 1.788 . . . . 0.0 110.88 -174.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -77.29 -10.25 59.32 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.794 0.837 . . . . 0.0 112.855 169.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.21 72.9 7.06 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.273 1.429 . . . . 0.0 111.48 178.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -159.17 148.83 14.87 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.96 1.704 . . . . 0.0 110.719 -176.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.84 143.0 29.11 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.434 2.756 . . . . 0.0 111.375 -176.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.94 -15.6 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.4 p -164.19 144.41 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 126.1 1.76 . . . . 0.0 110.349 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.69 -179.3 47.78 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.581 1.086 . . . . 0.0 113.513 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.8 m 59.16 55.95 4.12 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.657 1.183 . . . . 0.0 112.439 173.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 tpp85 -146.29 124.51 12.21 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.292 1.437 . . . . 0.0 110.097 -177.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 55.59 -160.22 0.19 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.295 1.838 . . . . 0.0 112.381 -173.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.4 p -85.47 1.04 50.46 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.291 1.436 . . . . 0.0 113.388 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 50.5 ttm -55.65 -19.21 9.8 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.834 2.054 . . . . 0.0 114.481 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -125.1 12.14 8.28 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.063 1.345 . . . . 0.0 113.344 -176.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.6 p -133.48 -28.18 1.48 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.08 1.352 . . . . 0.0 113.331 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -82.73 148.16 28.03 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.326 1.45 . . . . 0.0 111.731 173.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.3 mt -147.76 124.08 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.859 1.664 . . . . 0.0 109.772 -169.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -86.01 140.63 30.12 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.247 1.419 . . . . 0.0 108.423 167.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.04 88.61 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.215 1.006 . . . . 0.0 109.493 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.56 -177.05 38.58 Favored Glycine 0 N--CA 1.468 0.813 0 C-N-CA 123.711 0.672 . . . . 0.0 113.431 173.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.77 16.21 72.02 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 123.938 0.78 . . . . 0.0 113.493 -176.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.97 142.23 85.09 Favored Pre-proline 0 C--O 1.24 0.557 0 C-N-CA 124.355 1.062 . . . . 0.0 109.501 175.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.65 141.24 54.2 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 121.791 1.661 . . . . 0.0 108.802 169.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -59.41 -15.19 15.37 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -169.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -88.23 -1.1 57.82 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.468 1.507 . . . . 0.0 114.987 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.0 m -66.29 127.33 31.81 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.796 1.238 . . . . 0.0 109.379 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.6 p -94.53 166.67 11.93 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.99 0.9 . . . . 0.0 112.673 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -56.81 -36.85 70.41 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.465 1.106 . . . . 0.0 111.455 173.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -72.75 -40.16 66.26 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.086 0.954 . . . . 0.0 112.54 173.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.2 m -57.23 -41.31 79.28 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 119.364 0.984 . . . . 0.0 110.62 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.4 tp -73.33 -40.18 64.67 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -59.85 -39.05 83.89 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.383 -0.823 . . . . 0.0 111.765 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.79 -10.48 59.4 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.224 1.409 . . . . 0.0 112.783 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -92.46 -44.7 8.52 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.802 0.728 . . . . 0.0 112.072 169.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -75.72 -13.48 60.31 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -174.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -7.4 38.08 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -73.95 -19.72 60.59 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.695 0.798 . . . . 0.0 112.937 170.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -93.71 -15.61 25.07 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.632 1.173 . . . . 0.0 113.014 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.6 -153.75 24.3 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.499 1.523 . . . . 0.0 112.687 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -86.32 137.78 32.33 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.338 1.055 . . . . 0.0 112.339 -171.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.3 mt -110.25 129.07 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.17 1.388 . . . . 0.0 110.58 -173.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -73.86 -46.89 42.02 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.853 1.261 . . . . 0.0 111.064 169.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -163.51 146.3 10.0 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.62 1.968 . . . . 0.0 109.146 -175.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.72 136.43 23.12 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.094 1.358 . . . . 0.0 109.881 173.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 m -150.8 157.63 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.085 1.354 . . . . 0.0 111.847 -169.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.2 t -121.5 133.1 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.95 1.7 . . . . 0.0 108.265 170.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.6 mm -77.82 110.5 13.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 123.324 0.65 . . . . 0.0 110.601 -172.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.6 p -116.44 139.89 49.95 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.253 1.821 . . . . 0.0 109.094 170.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.75 132.05 52.64 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -175.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' HG2' ' C6 ' ' B' ' 12' ' ' ' C' . 28.5 mmm180 -61.53 -17.81 56.42 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -178.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -106.21 -30.81 8.98 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.789 1.636 . . . . 0.0 113.091 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.2 p -127.25 -13.69 5.53 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.703 1.601 . . . . 0.0 114.458 -173.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 60.89 17.61 7.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.204 2.202 . . . . 0.0 113.476 -176.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 134.98 49.73 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.113 -0.992 . . . . 0.0 110.675 173.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 m -79.95 133.5 36.2 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.968 0.907 . . . . 0.0 111.684 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -83.05 -6.95 59.69 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.92 5.4 77.45 Favored Glycine 0 N--CA 1.476 1.325 0 C-N-CA 124.722 1.153 . . . . 0.0 114.295 -177.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -143.03 161.78 37.22 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.932 1.293 . . . . 0.0 114.045 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.4 -174.05 16.32 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 127.092 2.282 . . . . 0.0 112.364 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -136.42 151.21 49.27 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.794 1.637 . . . . 0.0 111.08 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.3 t -139.18 141.73 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 126.17 1.788 . . . . 0.0 108.267 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.2 m -131.82 132.75 44.0 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.172 0.989 . . . . 0.0 108.895 174.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 80.5 mmm -102.47 145.4 29.62 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.701 1.2 . . . . 0.0 111.423 -172.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -67.98 -23.9 65.08 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -175.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -141.22 146.33 36.75 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.703 1.601 . . . . 0.0 110.929 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -54.9 -43.11 72.94 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.475 1.11 . . . . 0.0 112.472 -174.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.7 -14.07 62.78 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -82.78 -34.56 27.02 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.284 -0.885 . . . . 0.0 111.511 170.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.93 -33.76 66.14 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.171 -0.955 . . . . 0.0 112.277 171.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.13 -39.59 86.82 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.262 0.625 . . . . 0.0 111.847 171.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -68.07 -38.57 82.57 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.691 0.796 . . . . 0.0 112.251 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.81 -39.86 72.82 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.6 p -75.11 -11.05 60.0 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -64.05 -26.91 68.77 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.379 1.472 . . . . 0.0 113.763 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -114.06 109.68 49.3 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.513 1.525 . . . . 0.0 109.521 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.08 -16.09 15.98 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.929 2.419 . . . . 0.0 113.151 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -139.64 77.37 28.15 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 125.025 1.33 . . . . 0.0 111.714 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.24 -11.8 14.52 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 124.181 3.254 . . . . 0.0 116.154 -171.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.3 mm 65.18 54.85 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 125.448 1.499 . . . . 0.0 111.651 176.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.9 mt -69.25 121.13 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.543 1.137 . . . . 0.0 110.397 -174.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.96 19.51 9.9 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.902 2.081 . . . . 0.0 114.192 -178.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.7 25.78 14.58 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.469 1.033 . . . . 0.0 114.928 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -144.7 136.43 25.7 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.488 1.515 . . . . 0.0 109.78 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.75 102.58 0.6 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -173.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.53 168.14 19.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.947 1.299 . . . . 0.0 110.821 169.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -138.63 109.26 6.6 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.731 1.613 . . . . 0.0 108.882 -174.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 81.9 t -108.68 133.91 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.167 1.387 . . . . 0.0 110.804 -169.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -158.02 166.73 31.81 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.844 1.258 . . . . 0.0 112.529 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.0 mt -74.99 18.15 0.19 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.99 1.716 . . . . 0.0 115.488 -174.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 74.79 -65.97 0.32 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 127.23 2.212 . . . . 0.0 112.86 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -53.66 13.38 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.842 0 N-CA-C 120.926 3.676 . . . . 0.0 120.926 -172.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.95 -63.45 1.13 Allowed 'General case' 0 C--N 1.352 0.674 0 CA-C-N 123.344 2.793 . . . . 0.0 110.987 -167.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.01 16.69 60.81 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 126.021 1.772 . . . . 0.0 113.635 170.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.12 140.98 47.77 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.842 1.657 . . . . 0.0 113.547 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -97.45 152.24 38.1 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.48 1.112 . . . . 0.0 111.631 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.02 144.0 46.24 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.195 2.597 . . . . 0.0 110.258 170.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -147.3 127.77 14.07 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.925 1.69 . . . . 0.0 108.401 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.0 t -163.0 154.95 18.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.064 1.346 . . . . 0.0 111.617 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -129.72 16.82 5.82 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.045 1.738 . . . . 0.0 111.449 169.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 27.2 m -143.39 159.25 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 125.566 1.546 . . . . 0.0 112.135 -170.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 126.138 1.775 . . . . 0.0 111.296 -178.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 1 O4'-C1'-N19 113.062 4.862 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.392 1 O4'-C1'-N19 112.848 4.648 . 0.012 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 1 O4'-C1'-N19 112.338 4.138 . 0.071 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.415 2 O4'-C1'-N19 114.303 6.103 . 0.378 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.867 1 O5'-C5'-C4' 116.224 4.303 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.445 ' C6 ' ' HG2' ' A' ' 70' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.471 1 C3'-C2'-C1' 105.508 4.453 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.523 0 N-CA-C 111.861 -0.495 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.6 p -164.25 169.03 18.12 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.404 1.482 . . . . 0.0 111.724 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t -161.74 154.8 20.7 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.796 1.638 . . . . 0.0 110.8 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -83.37 48.75 1.44 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.294 1.438 . . . . 0.0 112.186 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.71 150.77 21.32 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.075 1.75 . . . . 0.0 111.461 -175.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -162.7 135.31 4.24 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.398 1.479 . . . . 0.0 109.86 -175.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -70.93 143.46 45.27 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.339 2.693 . . . . 0.0 111.057 177.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 p -73.23 -7.88 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -173.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.0 t 78.01 125.04 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 128.632 2.773 . . . . 0.0 110.244 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.61 11.9 83.52 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 123.923 0.773 . . . . 0.0 113.023 -169.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -57.07 136.93 56.36 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.586 1.954 . . . . 0.0 112.772 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -108.87 12.63 25.36 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.039 1.336 . . . . 0.0 113.012 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -93.94 152.73 18.63 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.02 1.728 . . . . 0.0 112.855 -169.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.8 p -86.14 0.54 53.34 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.827 1.651 . . . . 0.0 113.479 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.4 mtp -53.59 -20.75 5.5 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.473 1.509 . . . . 0.0 113.533 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -112.78 4.39 16.99 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.688 1.595 . . . . 0.0 113.386 -175.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.0 p -132.43 -24.22 2.05 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.396 1.478 . . . . 0.0 113.74 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -88.54 128.31 35.56 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.742 1.617 . . . . 0.0 110.592 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.0 mt -127.92 119.41 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.972 1.709 . . . . 0.0 109.494 -168.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -81.8 134.12 35.4 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.1 1.36 . . . . 0.0 108.176 169.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.31 92.06 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.767 0.827 . . . . 0.0 109.55 -176.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.36 -173.93 29.88 Favored Glycine 0 N--CA 1.466 0.673 0 C-N-CA 123.87 0.748 . . . . 0.0 113.778 177.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.03 15.56 67.45 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.345 0.974 . . . . 0.0 113.905 -175.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -72.22 146.51 89.65 Favored Pre-proline 0 C--O 1.24 0.577 0 C-N-CA 124.479 1.112 . . . . 0.0 110.27 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.06 145.59 44.96 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.115 1.877 . . . . 0.0 108.642 168.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -63.59 -10.03 16.43 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -171.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -95.08 -4.01 47.1 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.598 1.559 . . . . 0.0 115.039 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.4 m -66.63 130.47 43.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.485 1.114 . . . . 0.0 109.434 169.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -100.94 167.65 10.13 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.378 1.071 . . . . 0.0 111.699 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.91 -29.17 69.43 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.041 -1.037 . . . . 0.0 112.4 173.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -70.15 -44.61 68.47 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.47 0.708 . . . . 0.0 111.432 171.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -57.19 -44.43 83.59 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.531 1.532 . . . . 0.0 110.769 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.6 tp -73.86 -37.85 64.65 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.42 0.688 . . . . 0.0 112.73 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -60.15 -41.39 92.65 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.742 0.701 . . . . 0.0 111.195 172.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -65.59 -37.41 86.56 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.82 0.848 . . . . 0.0 112.134 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -69.01 -30.05 68.37 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -86.47 -7.03 58.74 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -175.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -67.08 -16.96 64.67 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.636 1.107 . . . . 0.0 113.245 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -74.32 -15.17 60.96 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.52 1.128 . . . . 0.0 113.31 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -97.67 -14.6 20.83 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.437 1.095 . . . . 0.0 113.343 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.89 -144.78 16.85 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.371 0.986 . . . . 0.0 113.34 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -89.32 119.45 29.8 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.341 1.056 . . . . 0.0 112.074 -169.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.5 mt -91.33 131.24 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.451 1.1 . . . . 0.0 109.484 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -94.1 -35.79 12.39 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.119 1.767 . . . . 0.0 111.548 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -164.31 150.91 11.19 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.311 1.844 . . . . 0.0 109.35 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.33 138.91 19.61 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.607 1.163 . . . . 0.0 110.667 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.2 m -151.14 158.85 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.961 1.704 . . . . 0.0 111.231 -173.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.5 t -128.79 133.24 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.396 1.478 . . . . 0.0 107.863 169.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.406 HG13 ' CE1' ' A' ' 78' ' ' TYR . 29.0 mm -78.86 117.59 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 123.657 0.783 . . . . 0.0 110.678 -171.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.3 p -120.28 134.0 55.35 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.5 1.92 . . . . 0.0 107.924 169.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.44 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 8.4 t0 -57.74 132.34 53.0 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -169.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.55 -17.99 61.09 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -104.36 -28.79 11.16 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.767 1.627 . . . . 0.0 113.08 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.3 p -134.72 -12.93 2.26 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 -170.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 59.68 15.4 4.68 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.826 2.051 . . . . 0.0 113.999 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -69.96 140.41 52.99 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.153 -0.967 . . . . 0.0 110.284 171.226 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 m -72.64 133.97 44.9 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.331 -0.856 . . . . 0.0 111.733 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -84.98 -4.15 59.04 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.7 2.11 90.61 Favored Glycine 0 N--CA 1.474 1.171 0 C-N-CA 124.89 1.233 . . . . 0.0 114.02 -176.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.406 ' CE1' HG13 ' A' ' 67' ' ' ILE . 30.0 p90 -143.87 161.98 37.26 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.715 1.206 . . . . 0.0 114.193 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.11 -171.31 12.33 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 127.334 2.397 . . . . 0.0 111.949 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -134.41 148.46 50.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 125.46 1.504 . . . . 0.0 110.696 176.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.0 t -135.38 136.46 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.251 1.42 . . . . 0.0 107.865 171.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.3 m -119.8 135.72 54.74 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 174.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 85.4 mmm -104.13 142.16 34.97 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.291 1.037 . . . . 0.0 110.451 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -60.03 -21.56 61.52 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -153.37 152.29 30.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.882 1.273 . . . . 0.0 111.692 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -56.98 -29.02 62.9 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.156 1.382 . . . . 0.0 112.656 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.63 -21.41 65.38 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.1 m -90.79 -30.06 17.23 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.247 -0.908 . . . . 0.0 111.909 172.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.8 -34.57 62.42 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.887 -1.133 . . . . 0.0 113.228 175.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -65.34 -31.87 73.22 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.583 -0.698 . . . . 0.0 112.173 174.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -71.13 -34.4 71.01 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.479 1.112 . . . . 0.0 112.27 171.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.97 -30.57 66.88 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.0 p -77.99 -4.13 45.48 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -65.14 -23.3 67.09 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -128.84 105.61 18.49 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.055 1.342 . . . . 0.0 109.535 171.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.5 -14.4 12.95 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.132 2.554 . . . . 0.0 113.169 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -136.71 73.86 53.43 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.634 1.174 . . . . 0.0 111.169 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -78.21 -10.8 16.32 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 124.318 3.345 . . . . 0.0 116.365 -169.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.2 mm 64.73 55.31 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.293 1.437 . . . . 0.0 111.255 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.2 mt -67.2 120.23 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.332 1.053 . . . . 0.0 110.155 -175.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.7 21.4 10.13 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.781 2.032 . . . . 0.0 114.143 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.17 26.07 11.78 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.634 1.111 . . . . 0.0 115.238 174.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -146.35 135.94 23.11 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.002 1.321 . . . . 0.0 109.853 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.98 103.17 0.56 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.55 0.74 . . . . 0.0 112.807 -173.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.66 172.63 13.5 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.723 1.209 . . . . 0.0 110.993 173.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -140.94 109.06 5.76 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.318 1.847 . . . . 0.0 108.676 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.4 t -110.69 124.13 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.764 1.626 . . . . 0.0 109.324 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -162.32 160.53 26.8 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.315 1.046 . . . . 0.0 112.815 172.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.6 mt -52.95 148.1 8.25 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.039 0.936 . . . . 0.0 110.681 171.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.75 -85.05 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.409 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -32.71 5.64 0.0 OUTLIER 'General case' 0 CA--C 1.577 2.015 1 N-CA-C 123.95 4.796 . . . . 0.0 123.95 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.7 mt -88.08 -76.35 0.39 Allowed 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 124.601 3.364 . . . . 0.0 112.666 -168.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -84.52 12.06 56.97 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.149 1.357 . . . . 0.0 112.655 171.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.78 145.22 55.41 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.665 1.586 . . . . 0.0 112.886 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -102.08 157.44 33.69 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 125.266 1.426 . . . . 0.0 112.761 -170.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -52.52 139.51 56.36 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 124.338 3.358 . . . . 0.0 112.701 170.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -159.91 121.64 3.25 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.09 1.356 . . . . 0.0 109.317 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 39.6 p -119.22 -8.08 10.18 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -169.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -76.46 32.51 0.13 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.984 1.314 . . . . 0.0 113.904 -175.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 9.0 p -170.97 139.11 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 127.867 2.467 . . . . 0.0 109.534 -174.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 125.935 1.694 . . . . 0.0 111.394 -179.385 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 1 C3'-C2'-C1' 105.565 4.517 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.191 1 O4'-C1'-N19 112.355 4.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 O4'-C1'-N19 111.59 3.39 . 0.524 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.424 HO2' ' P ' ' B' ' 11' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.375 0 O4'-C1'-N19 110.957 2.757 . 0.684 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . 0.424 ' P ' HO2' ' B' ' 10' ' ' ' U' . . . . . . . . 0 C5'--C4' 1.544 2.629 1 C3'-C2'-C1' 106.111 5.123 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 0 C3'-C2'-C1' 105.025 3.917 . 0.043 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.8 p -84.52 -12.13 54.79 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -164.71 167.83 18.62 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.832 2.053 . . . . 0.0 110.441 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -65.61 130.06 41.97 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.425 1.09 . . . . 0.0 111.72 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.05 160.96 31.16 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.75 1.62 . . . . 0.0 111.778 -176.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -145.17 151.33 47.96 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 126.266 1.826 . . . . 0.0 109.659 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -76.54 44.03 1.32 Allowed 'Trans proline' 0 CA--C 1.548 1.208 0 C-N-CA 124.581 3.521 . . . . 0.0 112.538 -176.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.6 p -172.16 132.37 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 127.528 2.331 . . . . 0.0 109.019 -173.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.7 t -146.69 131.33 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.312 1.445 . . . . 0.0 109.244 -177.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 153.95 115.69 0.58 Allowed Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.84 1.21 . . . . 0.0 112.607 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 t -170.51 177.18 4.1 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.562 1.945 . . . . 0.0 110.555 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -71.72 130.77 41.94 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.152 0.981 . . . . 0.0 109.865 173.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -162.02 146.65 12.68 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.182 1.393 . . . . 0.0 111.942 -174.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.2 p -140.66 -12.73 1.0 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.503 1.921 . . . . 0.0 113.14 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.1 mmt -68.12 -31.95 71.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.64 1.109 . . . . 0.0 112.794 -173.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -112.6 9.93 19.44 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.659 1.184 . . . . 0.0 112.998 -174.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.7 p -131.79 -23.83 2.24 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.699 1.599 . . . . 0.0 113.376 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 tttp -95.71 133.24 40.04 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.949 0.9 . . . . 0.0 111.646 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.0 mt -129.17 122.95 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 126.152 1.781 . . . . 0.0 109.288 -168.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -87.04 137.69 32.13 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.121 1.369 . . . . 0.0 108.032 168.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.3 t -137.37 94.35 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 123.939 0.895 . . . . 0.0 109.646 -175.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.73 -174.45 28.15 Favored Glycine 0 N--CA 1.467 0.738 0 C-N-CA 123.325 0.488 . . . . 0.0 113.334 173.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.06 14.44 73.59 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.14 0.876 . . . . 0.0 114.149 -174.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.5 mt -70.66 144.08 90.68 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 124.68 1.192 . . . . 0.0 110.106 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -70.43 144.43 50.46 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.311 2.007 . . . . 0.0 109.245 169.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.4 m-30 -63.31 -10.43 16.23 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -170.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -89.72 -1.02 57.9 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.298 1.439 . . . . 0.0 114.77 174.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.6 m -68.21 137.7 55.01 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.12 1.368 . . . . 0.0 109.38 171.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.5 p -112.44 169.59 8.77 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.75 0.82 . . . . 0.0 112.583 174.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.56 -36.83 67.25 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.618 1.167 . . . . 0.0 111.613 173.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -68.32 -43.17 78.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.28 1.432 . . . . 0.0 111.948 173.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.9 m -59.93 -47.3 86.36 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.342 1.057 . . . . 0.0 110.818 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 tp -73.11 -34.95 66.46 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -59.82 -43.99 94.24 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.641 0.655 . . . . 0.0 110.805 170.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -69.33 -37.06 77.54 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.477 0.711 . . . . 0.0 112.107 -175.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -65.66 -31.12 71.97 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 177.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -86.91 -6.52 58.75 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -176.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.77 -16.92 64.35 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.684 1.129 . . . . 0.0 113.053 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -71.75 -14.58 62.05 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.233 1.013 . . . . 0.0 113.277 175.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -99.56 -13.68 19.33 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.625 1.17 . . . . 0.0 113.411 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.64 -147.47 19.15 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.357 0.979 . . . . 0.0 113.322 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.32 129.01 34.91 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.064 0.945 . . . . 0.0 112.602 -172.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.5 mt -105.01 126.91 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.958 1.303 . . . . 0.0 109.44 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -82.25 -44.79 15.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.958 1.703 . . . . 0.0 110.309 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -165.11 150.65 9.6 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.797 2.039 . . . . 0.0 109.382 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.63 144.47 27.22 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.646 1.178 . . . . 0.0 111.273 176.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -150.44 159.09 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.261 1.424 . . . . 0.0 112.171 -173.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.0 t -123.45 134.13 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 126.213 1.805 . . . . 0.0 108.384 169.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mm -81.03 110.26 16.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 124.71 1.204 . . . . 0.0 110.689 -172.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.9 p -110.71 141.09 44.46 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 126.268 1.827 . . . . 0.0 109.225 170.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -64.58 135.77 56.33 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -170.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.31 -19.45 8.63 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 116.755 2.132 . . . . 0.0 116.755 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -125.65 -32.31 2.87 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.138 1.375 . . . . 0.0 113.738 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.8 p -107.38 -16.3 14.42 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.186 1.395 . . . . 0.0 114.009 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 61.35 10.42 3.09 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.95 2.1 . . . . 0.0 114.069 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 142.58 47.5 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.023 -1.048 . . . . 0.0 110.679 173.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.8 t -66.44 137.52 56.9 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.189 -0.944 . . . . 0.0 111.09 174.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.0 mtt-85 -92.65 3.81 54.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.15 0.98 . . . . 0.0 113.349 177.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.81 11.76 76.17 Favored Glycine 0 N--CA 1.472 1.052 0 C-N-CA 124.411 1.005 . . . . 0.0 114.247 176.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -146.37 164.79 31.3 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -155.22 -175.42 26.25 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 127.461 2.457 . . . . 0.0 112.095 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -136.03 147.94 48.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.696 1.599 . . . . 0.0 110.766 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.4 t -137.28 133.66 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.787 1.635 . . . . 0.0 108.183 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.7 m -119.6 125.35 48.56 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 82.4 mmm -97.44 145.16 26.45 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.346 1.058 . . . . 0.0 110.47 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -67.91 -20.94 65.14 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -175.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -147.65 151.23 35.82 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.37 1.468 . . . . 0.0 111.225 177.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -51.93 -38.42 56.31 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.372 1.069 . . . . 0.0 112.191 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.94 -16.95 62.69 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.8 m -84.53 -30.86 24.76 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.362 -0.836 . . . . 0.0 111.724 170.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.38 -35.04 65.85 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.937 -1.102 . . . . 0.0 112.395 171.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -57.2 -39.54 75.59 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.007 0.923 . . . . 0.0 111.638 170.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -70.88 -31.67 68.41 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.858 0.863 . . . . 0.0 112.686 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.69 -33.49 64.45 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.3 p -78.75 -4.26 48.41 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.827 1.418 . . . . 0.0 114.827 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.55 -25.72 68.2 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -132.87 108.21 12.83 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.531 1.532 . . . . 0.0 109.735 174.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.5 -13.12 16.7 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.963 2.442 . . . . 0.0 113.142 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -133.12 73.22 75.2 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 124.475 1.11 . . . . 0.0 111.819 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.11 -10.64 13.77 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 124.256 3.304 . . . . 0.0 116.15 -170.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 65.23 59.34 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 125.812 1.645 . . . . 0.0 111.265 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.7 mt -71.39 120.32 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.302 1.041 . . . . 0.0 109.886 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 t0 57.05 29.25 16.16 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.324 1.85 . . . . 0.0 113.736 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.99 28.18 14.39 Favored Glycine 0 CA--C 1.534 1.263 0 N-CA-C 115.68 1.032 . . . . 0.0 115.68 171.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -152.25 140.44 20.36 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.816 1.246 . . . . 0.0 109.649 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.35 102.58 0.42 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.521 0.728 . . . . 0.0 112.662 -174.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.97 170.68 16.2 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.566 1.146 . . . . 0.0 110.518 171.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -145.19 99.15 3.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.979 1.712 . . . . 0.0 108.306 -172.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 87.6 t -107.33 126.97 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 126.127 1.771 . . . . 0.0 110.196 -168.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -163.59 163.18 24.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.962 1.305 . . . . 0.0 112.231 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.35 150.76 14.14 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.586 -0.696 . . . . 0.0 110.661 173.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.48 -88.89 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.362 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -34.74 10.13 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.037 1 N-CA-C 123.323 4.564 . . . . 0.0 123.323 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.7 mt -89.42 -79.95 0.31 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 124.477 3.308 . . . . 0.0 112.816 -168.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.37 18.72 12.94 Favored Glycine 0 N--CA 1.473 1.158 0 C-N-CA 125.288 1.423 . . . . 0.0 112.463 171.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.51 147.39 49.41 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.993 1.717 . . . . 0.0 113.195 -173.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -68.31 154.99 93.4 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 124.951 1.3 . . . . 0.0 110.908 169.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.93 118.62 5.79 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.123 2.549 . . . . 0.0 109.993 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -91.32 1.5 57.07 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.087 0.955 . . . . 0.0 113.5 -170.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.6 p -57.4 -14.82 5.25 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.949 2.1 . . . . 0.0 114.514 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -62.5 -18.37 61.74 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.942 1.297 . . . . 0.0 113.555 169.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 17.6 m -132.15 139.81 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.516 1.526 . . . . 0.0 110.383 172.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--O 1.253 1.28 0 C-N-CA 126.12 1.768 . . . . 0.0 111.296 -172.686 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 1 C3'-C2'-C1' 105.129 4.032 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 O4'-C1'-N19 111.579 3.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.104 0 C5'-C4'-C3' 111.187 -2.875 . 0.384 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.281 1 O4'-C1'-N19 113.201 5.001 . 0.733 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 1 C3'-C2'-C1' 105.552 4.502 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 1 C3'-C2'-C1' 105.459 4.399 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.559 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.7 p -94.47 -5.79 45.38 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -175.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.2 m -64.19 126.83 28.99 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.685 1.594 . . . . 0.0 110.934 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -71.58 129.47 38.82 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.543 0.737 . . . . 0.0 111.386 176.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.62 20.33 2.71 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.824 1.65 . . . . 0.0 112.597 178.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.43 137.81 83.73 Favored Pre-proline 0 CA--C 1.547 0.852 0 O-C-N 120.765 -1.21 . . . . 0.0 111.458 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -71.28 155.47 60.54 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.738 2.959 . . . . 0.0 110.767 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.258 7.5 p -85.55 45.71 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-O 122.444 1.116 . . . . 0.0 112.014 -170.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.7 t 65.42 97.06 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 128.422 2.689 . . . . 0.0 111.077 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.54 -53.16 4.23 Favored Glycine 0 N--CA 1.47 0.946 0 C-N-CA 125.199 1.381 . . . . 0.0 112.756 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.1 m -65.46 116.0 6.29 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.903 1.281 . . . . 0.0 111.216 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -156.03 13.64 0.32 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.225 1.41 . . . . 0.0 113.763 -169.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.08 120.52 8.17 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.139 1.776 . . . . 0.0 111.866 -173.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 p 66.47 -7.48 0.43 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 128.53 2.732 . . . . 0.0 115.396 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.0 mmt -55.75 -40.21 72.24 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.564 1.075 . . . . 0.0 112.844 -171.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -90.57 -2.08 57.88 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.8 p -126.83 -16.56 5.15 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.953 1.301 . . . . 0.0 114.186 -173.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -91.77 121.83 33.76 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.061 1.744 . . . . 0.0 110.433 174.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 mt -126.76 123.76 63.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.456 1.503 . . . . 0.0 110.725 -167.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -86.61 134.66 33.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.804 1.642 . . . . 0.0 108.416 169.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.7 t -135.46 90.22 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.323 1.049 . . . . 0.0 109.295 -173.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.63 -173.33 30.78 Favored Glycine 0 N--CA 1.466 0.646 0 C-N-CA 124.188 0.899 . . . . 0.0 114.207 177.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.81 15.19 71.14 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.602 1.096 . . . . 0.0 114.124 -174.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.3 mt -70.9 145.08 91.33 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 124.828 1.251 . . . . 0.0 110.472 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.9 142.17 42.29 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 122.103 1.868 . . . . 0.0 108.654 168.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -61.99 -13.12 22.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -169.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -88.78 -0.66 57.54 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.405 1.482 . . . . 0.0 114.765 175.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.7 m -64.99 131.85 47.68 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.715 1.206 . . . . 0.0 109.124 172.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.3 m -106.47 168.41 9.18 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.952 0.901 . . . . 0.0 111.925 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -58.63 -40.28 82.89 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.379 -0.826 . . . . 0.0 111.897 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.04 -40.89 91.35 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.518 0.727 . . . . 0.0 112.043 174.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 m -56.4 -46.54 80.11 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.925 1.29 . . . . 0.0 110.58 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.0 tp -75.25 -34.63 61.42 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -61.87 -42.83 99.53 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.03 0.832 . . . . 0.0 111.316 171.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.29 -41.57 76.64 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.105 0.962 . . . . 0.0 111.384 -175.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -61.68 -32.75 72.96 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -86.62 -5.55 59.1 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -67.63 -18.11 64.85 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.863 1.21 . . . . 0.0 112.987 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -70.16 -15.69 62.98 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.818 0.847 . . . . 0.0 113.103 174.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -100.29 -11.87 19.98 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.706 1.202 . . . . 0.0 113.417 -177.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.16 -143.53 15.19 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 124.439 1.019 . . . . 0.0 113.525 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -94.16 136.18 34.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.017 1.327 . . . . 0.0 112.205 -169.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.4 mt -116.98 129.52 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.865 1.266 . . . . 0.0 111.071 -168.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.48 -44.71 23.84 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.457 1.503 . . . . 0.0 111.961 171.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -164.02 145.74 8.93 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.515 1.926 . . . . 0.0 108.671 -169.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.01 127.18 7.06 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.292 1.037 . . . . 0.0 110.633 173.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.8 m -154.47 158.07 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.209 1.404 . . . . 0.0 111.469 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.57 134.78 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.041 1.736 . . . . 0.0 108.823 173.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.8 mm -78.96 109.02 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.973 0.892 . . . . 0.0 109.908 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -108.3 150.64 27.04 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 125.75 1.62 . . . . 0.0 109.148 169.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.32 120.16 9.88 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 168.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.451 ' HG2' ' C6 ' ' B' ' 12' ' ' ' C' . 15.4 mmt-85 -69.48 -4.26 18.04 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -170.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -105.81 -25.14 12.3 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.313 1.845 . . . . 0.0 112.887 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 55.9 p -132.36 -16.0 2.78 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.637 1.575 . . . . 0.0 115.002 -171.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 65.57 20.75 11.68 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.219 2.208 . . . . 0.0 113.824 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -69.16 -14.91 63.26 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 117.955 2.576 . . . . 0.0 117.955 -168.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.2 t 69.47 145.88 0.06 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 127.691 2.396 . . . . 0.0 113.65 -172.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.0 mtt-85 -104.5 0.67 29.05 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.485 1.114 . . . . 0.0 113.579 170.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.43 14.81 81.76 Favored Glycine 0 N--CA 1.47 0.921 0 O-C-N 121.435 -0.79 . . . . 0.0 113.765 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -145.31 156.16 43.64 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.59 1.195 . . . . 0.0 113.772 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.13 -176.28 14.43 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 126.935 2.207 . . . . 0.0 112.332 175.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -126.61 147.83 49.86 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.451 1.5 . . . . 0.0 109.987 173.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.0 133.97 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 126.341 1.856 . . . . 0.0 107.436 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.0 m -126.3 134.37 51.15 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 81.9 mmm -104.15 147.09 27.84 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.406 1.082 . . . . 0.0 110.927 -172.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -68.25 -18.8 64.64 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -155.63 152.28 28.52 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.939 1.296 . . . . 0.0 111.874 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -57.25 -30.5 64.69 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.887 1.275 . . . . 0.0 112.689 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.53 -17.0 63.55 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 175.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.3 m -92.43 -34.89 13.95 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.97 -1.081 . . . . 0.0 111.161 169.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.78 73.45 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.68 -37.71 88.36 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.764 0.711 . . . . 0.0 111.967 175.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -70.78 -35.3 72.52 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.439 1.096 . . . . 0.0 112.138 172.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.97 -38.61 79.47 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.8 p -79.83 -8.04 59.05 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.915 1.079 . . . . 0.0 113.915 176.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -60.95 -32.63 72.15 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.364 1.466 . . . . 0.0 113.779 -175.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -113.48 110.62 50.04 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.456 1.503 . . . . 0.0 109.492 172.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.84 -16.34 14.55 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.898 2.399 . . . . 0.0 113.147 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -138.17 76.27 38.87 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.177 1.391 . . . . 0.0 111.288 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.92 -11.15 13.87 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.955 3.103 . . . . 0.0 115.932 -169.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.9 mm 66.46 57.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 125.358 1.463 . . . . 0.0 111.43 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.5 mt -70.52 119.37 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.339 1.056 . . . . 0.0 110.233 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.62 21.73 11.59 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.947 2.099 . . . . 0.0 114.312 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.21 28.25 10.03 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.507 1.051 . . . . 0.0 115.15 174.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -147.77 138.33 23.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.43 1.492 . . . . 0.0 109.448 178.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.26 104.16 0.46 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.516 0.674 . . . . 0.0 112.382 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.53 170.44 16.34 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.686 1.195 . . . . 0.0 110.073 169.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -140.95 115.99 9.83 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.136 1.775 . . . . 0.0 108.739 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.7 t -113.39 126.7 70.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.998 1.319 . . . . 0.0 109.821 -171.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -159.99 161.24 34.06 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.894 1.277 . . . . 0.0 112.093 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.97 154.03 27.66 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.212 -0.93 . . . . 0.0 110.803 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.6 -90.14 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -176.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -22.95 3.11 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.847 1 N-CA-C 124.546 5.017 . . . . 0.0 124.546 173.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.1 mt -89.74 -64.82 1.08 Allowed 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 124.195 3.18 . . . . 0.0 111.064 -169.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.01 21.02 46.27 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.908 1.718 . . . . 0.0 112.687 169.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.52 159.37 34.03 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.051 1.34 . . . . 0.0 114.259 -170.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -137.79 151.39 70.43 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 126.954 2.102 . . . . 0.0 111.267 -170.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -69.13 143.05 52.53 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.239 2.626 . . . . 0.0 111.302 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -154.43 81.36 1.11 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.609 1.164 . . . . 0.0 110.282 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 58.4 p 54.67 8.05 0.19 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 129.202 3.001 . . . . 0.0 117.812 168.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -135.78 17.12 3.3 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.219 1.408 . . . . 0.0 112.947 -170.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.6 m -147.17 154.14 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 126.288 1.835 . . . . 0.0 111.019 -173.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 126.059 1.743 . . . . 0.0 111.318 -177.227 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 C3'-C2'-C1' 105.027 3.919 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 0 O4'-C1'-N19 111.901 3.701 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 O4'-C1'-N19 111.259 3.059 . 0.496 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.378 1 C3'-C2'-C1' 106.231 5.256 OUTLIER-DELTA 0.091 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . 0.419 HO2' ' P ' ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 O4'-C1'-N19 111.985 3.785 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.451 ' C6 ' ' HG2' ' A' ' 70' ' ' ARG . . . . . . . . 0 C5'--C4' 1.542 2.472 0 C5'-C4'-C3' 109.992 -3.672 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.739 -0.544 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.3 p -86.38 -9.74 55.75 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -163.83 171.7 15.09 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.835 2.054 . . . . 0.0 110.575 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -63.11 141.29 58.82 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.744 1.218 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.4 149.57 49.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.567 1.147 . . . . 0.0 112.932 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -74.0 133.35 78.84 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.357 1.063 . . . . 0.0 110.45 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.44 152.6 54.9 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.303 2.668 . . . . 0.0 111.663 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.87 -11.21 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -174.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -160.93 135.62 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.343 1.857 . . . . 0.0 109.705 177.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.62 21.96 12.6 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.497 1.523 . . . . 0.0 114.857 -173.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.5 m -147.72 169.04 20.56 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.115 1.766 . . . . 0.0 110.918 -172.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.4 tpp85 -157.7 -42.62 0.07 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 175.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -172.7 169.66 4.92 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 127.612 2.365 . . . . 0.0 110.841 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.0 p -62.9 -26.37 68.76 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.547 1.139 . . . . 0.0 112.683 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.0 mtp -56.01 -18.63 9.94 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.135 1.374 . . . . 0.0 113.424 172.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -116.59 3.94 13.16 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.735 1.214 . . . . 0.0 113.849 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.8 p -135.77 -21.29 1.49 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.546 1.138 . . . . 0.0 114.07 -177.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -86.92 129.96 34.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.306 1.443 . . . . 0.0 110.546 171.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.7 mt -129.5 119.22 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 126.053 1.741 . . . . 0.0 109.269 -169.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -81.98 137.34 35.15 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.662 1.185 . . . . 0.0 108.019 168.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.7 t -135.39 92.23 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.614 0.766 . . . . 0.0 109.463 -178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.97 -175.74 27.94 Favored Glycine 0 N--CA 1.469 0.89 0 C-N-CA 123.067 0.365 . . . . 0.0 113.452 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.27 19.73 70.66 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 123.737 0.684 . . . . 0.0 113.631 -174.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.5 mt -73.98 145.02 83.18 Favored Pre-proline 0 C--O 1.24 0.562 0 C-N-CA 124.499 1.12 . . . . 0.0 109.919 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -69.76 145.13 56.21 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.181 1.921 . . . . 0.0 109.263 169.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -62.58 -11.7 18.33 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -170.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -90.47 2.03 56.09 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.385 1.474 . . . . 0.0 114.835 175.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.6 m -71.06 135.53 47.8 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.072 1.349 . . . . 0.0 109.741 173.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.6 m -111.96 168.87 9.25 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.41 1.084 . . . . 0.0 111.989 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -52.86 -36.01 58.43 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.703 1.201 . . . . 0.0 112.869 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -76.3 -40.4 51.71 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.3 1.04 . . . . 0.0 111.928 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -54.83 -43.95 73.44 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.61 1.164 . . . . 0.0 110.558 174.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.1 tp -74.85 -40.19 61.14 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -59.62 -41.3 90.1 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.708 0.685 . . . . 0.0 111.399 173.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.07 -34.36 73.1 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.4 1.08 . . . . 0.0 111.67 -175.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -70.16 -33.16 71.42 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.404 -0.81 . . . . 0.0 112.887 173.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -80.58 -8.85 59.74 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -175.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.11 -16.93 64.37 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.527 1.058 . . . . 0.0 113.175 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -72.7 -21.89 60.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.031 0.932 . . . . 0.0 113.35 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -89.64 -20.73 23.33 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.208 1.003 . . . . 0.0 113.048 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.5 -144.66 15.11 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.06 1.314 . . . . 0.0 112.909 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -87.55 124.9 33.97 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.076 0.95 . . . . 0.0 112.212 -170.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.0 mt -99.96 128.04 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.689 1.196 . . . . 0.0 109.922 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -90.62 -36.45 14.4 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.687 1.595 . . . . 0.0 111.712 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -166.62 152.19 8.18 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.654 1.982 . . . . 0.0 109.342 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.69 140.15 18.73 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.529 1.131 . . . . 0.0 111.225 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.7 m -151.04 159.14 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.848 1.659 . . . . 0.0 111.375 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.6 t -126.66 133.34 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.345 1.458 . . . . 0.0 107.782 169.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.413 HG13 ' CE2' ' A' ' 78' ' ' TYR . 49.2 mm -76.11 116.18 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 123.641 0.776 . . . . 0.0 110.5 -171.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.1 p -124.77 136.36 53.78 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.568 1.947 . . . . 0.0 108.743 172.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.41 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 17.6 t70 -58.36 137.05 57.5 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -169.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -57.14 -22.62 41.46 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -126.75 -16.85 5.12 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.977 1.311 . . . . 0.0 114.318 -172.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.8 p -123.85 -14.79 7.1 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 125.421 1.488 . . . . 0.0 114.447 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 59.07 15.65 4.19 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.328 1.851 . . . . 0.0 113.716 -178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -66.65 139.24 57.85 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.126 -0.984 . . . . 0.0 110.672 172.789 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.8 m -77.86 133.97 38.05 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.438 -0.789 . . . . 0.0 111.702 -176.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -84.98 -5.01 59.36 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.23 4.42 88.17 Favored Glycine 0 N--CA 1.474 1.226 0 C-N-CA 124.681 1.134 . . . . 0.0 114.163 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.413 ' CE2' HG13 ' A' ' 67' ' ' ILE . 27.7 p90 -146.7 162.94 37.45 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.236 1.414 . . . . 0.0 114.119 177.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.66 -172.7 13.07 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 127.246 2.355 . . . . 0.0 112.315 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -135.28 146.83 48.92 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.73 1.612 . . . . 0.0 110.726 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.8 t -134.7 140.37 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.307 1.443 . . . . 0.0 108.345 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.7 m -121.27 132.0 54.55 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 172.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 88.6 mmm -104.07 145.25 30.45 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.217 1.007 . . . . 0.0 110.774 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -67.46 -17.47 64.71 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -147.34 145.49 29.33 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.241 1.816 . . . . 0.0 110.884 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -57.77 -33.07 68.12 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.615 1.566 . . . . 0.0 112.166 174.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.59 -19.42 64.45 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.426 1.091 . . . . 0.0 113.894 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.6 m -89.09 -33.5 17.08 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.337 -0.852 . . . . 0.0 111.778 170.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.29 -36.1 71.54 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.18 -0.95 . . . . 0.0 113.531 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.95 -41.09 97.59 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.531 0.605 . . . . 0.0 111.397 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.7 mtp-105 -63.18 -27.94 69.71 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.949 0.9 . . . . 0.0 112.935 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.11 -48.76 19.48 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.713 0.805 . . . . 0.0 112.076 174.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.9 p -69.86 -19.2 63.45 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -177.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -66.33 -18.23 65.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.142 1.377 . . . . 0.0 114.684 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -121.63 82.27 40.82 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 126.114 1.766 . . . . 0.0 109.514 174.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.47 -22.27 14.18 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.149 2.566 . . . . 0.0 114.194 -169.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -122.34 75.84 43.01 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 124.222 1.009 . . . . 0.0 111.632 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.9 -14.68 12.29 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 124.018 3.146 . . . . 0.0 115.808 -174.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.9 mm 64.58 55.55 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 125.608 1.563 . . . . 0.0 111.017 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.95 118.73 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.122 -0.986 . . . . 0.0 109.808 -175.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.12 23.11 9.76 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.544 1.938 . . . . 0.0 114.182 177.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.36 32.56 6.3 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.652 1.12 . . . . 0.0 115.745 171.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.28 137.24 18.18 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.812 1.306 . . . . 0.0 109.068 175.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -62.11 102.99 0.33 Allowed 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.753 -0.592 . . . . 0.0 112.332 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.55 171.24 15.4 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.861 1.264 . . . . 0.0 111.731 173.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -137.19 95.05 3.02 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.848 2.059 . . . . 0.0 108.499 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.4 t -96.6 123.57 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.52 1.528 . . . . 0.0 109.206 -178.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -159.22 160.82 35.82 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.966 0.906 . . . . 0.0 112.988 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.05 142.43 42.22 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 169.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -45.8 -82.3 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.449 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -175.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -34.64 2.7 0.0 OUTLIER 'General case' 0 CA--C 1.577 2.0 1 N-CA-C 123.835 4.754 . . . . 0.0 123.835 -178.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.8 mt -84.24 -72.67 0.46 Allowed 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 124.867 3.485 . . . . 0.0 112.388 -168.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.76 9.83 72.49 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.254 1.406 . . . . 0.0 112.596 170.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.77 133.74 56.38 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.89 1.276 . . . . 0.0 111.534 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -95.86 140.98 22.54 Favored Pre-proline 0 CA--C 1.551 1.012 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -168.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -75.0 147.99 34.65 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 123.878 3.052 . . . . 0.0 110.843 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -144.23 125.99 15.18 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.614 1.166 . . . . 0.0 111.702 -172.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 21.7 p -76.86 149.09 36.16 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.249 1.42 . . . . 0.0 110.656 172.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -163.67 169.08 19.02 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.378 1.471 . . . . 0.0 112.006 -176.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.3 p -153.31 135.88 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.421 1.488 . . . . 0.0 109.686 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.13 1.772 . . . . 0.0 112.644 -169.65 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 1 O4'-C1'-N19 114.161 5.961 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.041 1 O4'-C1'-N19 112.453 4.253 . 0.133 5q . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 O4'-C1'-N19 111.602 3.402 . 0.82 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.695 0 C3'-C2'-C1' 98.87 -2.923 . 0.543 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.025 0 C3'-C2'-C1' 105.014 3.904 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 1 C3'-C2'-C1' 105.112 4.014 . 0.206 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.3 p -164.57 167.35 19.39 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.27 1.428 . . . . 0.0 111.991 -176.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.1 p -141.49 161.52 37.71 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.477 1.911 . . . . 0.0 110.722 -177.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -158.33 131.25 7.28 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.7 1.2 . . . . 0.0 111.714 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.58 3.5 0.41 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.132 1.373 . . . . 0.0 114.616 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -151.98 146.46 18.64 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.807 1.643 . . . . 0.0 110.342 -174.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -72.03 122.41 8.41 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.098 2.532 . . . . 0.0 110.937 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.4 t -145.05 129.08 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 126.122 1.769 . . . . 0.0 108.111 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -163.02 153.19 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.26 1.424 . . . . 0.0 110.441 -173.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.94 38.97 1.56 Allowed Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.831 1.682 . . . . 0.0 114.767 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.1 p -73.39 -15.76 61.35 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.609 1.163 . . . . 0.0 113.679 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -126.91 126.82 43.91 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.898 2.079 . . . . 0.0 108.844 172.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -84.55 -2.58 57.57 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -169.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.5 p -116.81 -22.41 8.57 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.015 1.726 . . . . 0.0 114.409 -171.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.0 mmt -61.45 -22.58 65.17 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -173.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -107.85 2.55 23.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.659 1.584 . . . . 0.0 113.544 -176.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.1 p -138.24 -17.95 1.16 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.164 1.386 . . . . 0.0 114.341 -172.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -89.46 124.64 34.67 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.542 1.537 . . . . 0.0 110.62 175.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.8 mt -126.37 120.66 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.362 1.465 . . . . 0.0 109.755 -169.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -82.82 138.39 33.98 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.253 1.421 . . . . 0.0 108.698 169.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.5 t -136.15 90.93 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.13 0.972 . . . . 0.0 109.617 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.46 -176.12 35.74 Favored Glycine 0 N--CA 1.47 0.92 0 C-N-CA 123.444 0.545 . . . . 0.0 112.999 175.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.9 15.03 71.19 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.18 0.895 . . . . 0.0 114.082 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.44 145.06 87.32 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 124.682 1.193 . . . . 0.0 110.057 175.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -70.02 143.29 49.15 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.18 1.92 . . . . 0.0 109.051 169.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -61.23 -13.54 19.24 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.505 1.669 . . . . 0.0 115.505 -169.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -89.74 -0.14 57.35 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.36 1.464 . . . . 0.0 114.793 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -68.15 130.04 41.74 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.742 1.217 . . . . 0.0 109.426 174.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -96.77 165.41 12.13 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.971 0.891 . . . . 0.0 112.392 173.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -55.1 -33.04 62.49 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.407 1.083 . . . . 0.0 112.743 170.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -80.9 -34.19 33.66 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.452 -0.785 . . . . 0.0 112.454 175.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.3 m -59.2 -42.28 90.53 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 119.381 0.991 . . . . 0.0 110.283 174.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 tp -70.93 -39.93 72.38 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.188 0.595 . . . . 0.0 112.57 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -60.86 -38.29 85.06 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.717 -0.615 . . . . 0.0 111.787 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -72.81 -16.8 61.61 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.8 1.24 . . . . 0.0 112.96 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -87.98 -43.16 11.95 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.948 0.794 . . . . 0.0 111.992 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -76.89 -15.91 59.55 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -7.27 41.42 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.61 -18.7 61.02 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.622 0.769 . . . . 0.0 112.824 169.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -93.93 -14.22 26.24 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.693 1.197 . . . . 0.0 113.34 -175.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.37 -146.6 18.41 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 124.639 1.114 . . . . 0.0 113.008 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -88.18 123.11 32.49 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.189 0.996 . . . . 0.0 112.16 -170.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.4 mt -93.04 132.9 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.353 1.061 . . . . 0.0 109.982 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -97.15 -32.43 11.95 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.02 2.128 . . . . 0.0 112.113 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -161.06 147.47 14.8 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.979 2.112 . . . . 0.0 108.403 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.21 135.88 18.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.376 1.07 . . . . 0.0 110.553 173.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.3 m -152.85 160.31 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.326 1.45 . . . . 0.0 111.9 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.6 t -129.06 128.74 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 167.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.406 HG13 ' CE1' ' A' ' 78' ' ' TYR . 48.3 mm -77.99 111.64 15.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 124.065 0.946 . . . . 0.0 110.728 -169.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.4 p -120.53 137.22 54.49 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 126.638 1.975 . . . . 0.0 109.26 175.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.58 136.66 54.44 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -174.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -7.25 6.3 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 -176.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -128.06 -33.13 2.23 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.875 1.67 . . . . 0.0 113.042 -178.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.9 p -116.95 -14.86 10.65 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.811 1.644 . . . . 0.0 113.896 -172.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 59.36 16.94 5.46 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.654 1.982 . . . . 0.0 113.559 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 136.21 51.85 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.103 0.961 . . . . 0.0 109.917 172.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.7 t -78.73 142.88 36.7 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.08 -1.012 . . . . 0.0 112.022 -177.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -80.26 -10.14 59.75 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 170.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.17 9.5 86.54 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 123.838 0.732 . . . . 0.0 113.578 -171.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.406 ' CE1' HG13 ' A' ' 67' ' ' ILE . 9.6 p90 -137.52 158.15 45.01 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.707 1.254 . . . . 0.0 114.043 174.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.28 -171.79 13.32 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 127.355 2.407 . . . . 0.0 112.377 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -135.42 150.95 50.0 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.546 1.538 . . . . 0.0 110.89 175.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.6 t -138.13 129.53 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.38 1.472 . . . . 0.0 107.885 169.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.5 m -112.96 133.61 54.85 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 174.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 82.4 mmm -102.59 142.4 33.83 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.353 1.061 . . . . 0.0 110.408 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -64.22 -19.25 65.23 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -154.22 152.43 30.32 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.966 1.306 . . . . 0.0 112.235 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -57.46 -29.48 64.25 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.629 1.171 . . . . 0.0 113.276 178.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.16 -25.53 65.31 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.732 1.151 . . . . 0.0 113.379 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.1 m -84.86 -34.96 22.52 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.631 -0.668 . . . . 0.0 111.43 171.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.97 82.07 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.207 -0.933 . . . . 0.0 113.036 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -60.48 -34.77 74.52 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.247 1.019 . . . . 0.0 112.644 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -72.72 -38.04 67.58 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.141 0.576 . . . . 0.0 111.73 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.11 -39.88 63.06 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.7 p -74.19 -14.9 61.01 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -18.63 59.83 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -169.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -112.04 104.94 56.4 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 125.252 1.421 . . . . 0.0 109.07 169.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.26 -17.81 12.98 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.923 2.415 . . . . 0.0 113.106 -176.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -136.88 77.51 43.93 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.742 1.217 . . . . 0.0 111.825 -175.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.73 -13.84 14.35 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 124.099 3.199 . . . . 0.0 115.892 -174.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.4 mm 64.59 54.97 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 125.605 1.562 . . . . 0.0 111.33 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -69.87 120.68 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.323 1.049 . . . . 0.0 110.343 -174.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.22 21.81 9.98 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.848 2.059 . . . . 0.0 114.129 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.32 28.9 8.75 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.595 1.093 . . . . 0.0 115.438 173.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -150.0 139.35 21.37 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.071 1.348 . . . . 0.0 109.831 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -64.69 102.82 0.61 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.475 0.655 . . . . 0.0 112.418 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.42 163.44 24.79 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.665 1.186 . . . . 0.0 110.338 169.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -132.91 106.17 7.54 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.674 1.59 . . . . 0.0 108.393 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.5 t -108.61 125.78 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.318 1.447 . . . . 0.0 110.273 -169.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -166.04 163.88 18.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.958 1.303 . . . . 0.0 112.507 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.6 mt -55.87 152.21 10.32 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.745 0.818 . . . . 0.0 111.277 174.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -49.79 -89.21 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.277 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -35.69 13.51 0.0 OUTLIER 'General case' 0 CA--C 1.577 2.012 1 N-CA-C 123.553 4.649 . . . . 0.0 123.553 176.061 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.9 mt -89.88 -78.77 0.36 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 124.336 3.244 . . . . 0.0 111.883 -172.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -84.7 12.58 56.23 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.393 1.473 . . . . 0.0 112.976 172.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.04 154.07 38.87 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.762 1.625 . . . . 0.0 113.276 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -128.86 150.04 74.0 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 125.242 1.417 . . . . 0.0 112.631 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.45 145.56 18.77 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.105 2.537 . . . . 0.0 112.366 -173.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -150.69 148.12 28.19 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.218 2.207 . . . . 0.0 109.699 170.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.3 p -142.97 150.37 39.6 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.807 1.643 . . . . 0.0 111.376 -174.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -165.32 -48.45 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.576 1.551 . . . . 0.0 111.816 178.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.8 m -146.53 148.17 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 126.736 2.014 . . . . 0.0 109.861 172.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 C--O 1.252 1.192 0 C-N-CA 126.052 1.741 . . . . 0.0 111.503 -177.019 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C3'-C2'-C1' 105.09 3.989 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 O4'-C1'-N19 112.14 3.94 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 0 C5'-C4'-C3' 110.877 -3.082 . 0.511 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 O4'-C1'-N19 110.697 2.497 . 0.774 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.918 1 C3'-C2'-C1' 106.153 5.17 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C3'-C2'-C1' 104.055 2.839 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -64.72 -17.5 64.18 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -173.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.6 p -61.0 -20.19 62.2 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.3 1.44 . . . . 0.0 113.151 172.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -62.06 -18.11 59.6 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.467 1.107 . . . . 0.0 113.503 173.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.01 -4.73 58.63 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.442 1.097 . . . . 0.0 113.768 173.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 60.71 75.96 0.44 Allowed Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 127.457 2.303 . . . . 0.0 112.958 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.47 140.35 89.04 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 124.263 3.309 . . . . 0.0 112.605 175.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 p -164.13 162.33 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.225 1.41 . . . . 0.0 110.738 -173.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 p -153.81 139.71 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.961 1.704 . . . . 0.0 110.34 -176.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.7 -118.63 6.21 Favored Glycine 0 N--CA 1.468 0.776 0 C-N-CA 125.022 1.296 . . . . 0.0 111.478 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -63.54 -7.43 7.0 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -172.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -126.82 -0.59 6.66 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.675 1.59 . . . . 0.0 114.088 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -167.82 131.47 1.69 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.256 1.423 . . . . 0.0 112.087 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.7 p -132.12 8.38 4.38 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.728 1.211 . . . . 0.0 113.97 -175.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 51.6 ttm -56.19 -30.28 62.04 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.668 1.187 . . . . 0.0 113.947 -174.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -116.01 16.43 16.09 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.886 1.275 . . . . 0.0 112.952 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.05 -22.8 2.53 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.914 1.286 . . . . 0.0 113.786 177.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -88.65 133.05 34.31 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.97 1.308 . . . . 0.0 111.37 172.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.8 mt -130.57 120.76 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 126.609 1.964 . . . . 0.0 109.228 -169.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -84.43 137.93 33.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.749 1.219 . . . . 0.0 108.36 168.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.9 t -137.52 90.86 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.02 0.928 . . . . 0.0 109.701 -176.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.88 -176.02 30.74 Favored Glycine 0 N--CA 1.47 0.94 0 C-N-CA 122.981 0.324 . . . . 0.0 113.187 174.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.85 16.94 76.52 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.778 0.704 . . . . 0.0 113.835 -176.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.2 mt -73.96 147.36 86.09 Favored Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 125.106 1.362 . . . . 0.0 109.548 172.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.52 151.86 53.54 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.03 1.82 . . . . 0.0 109.368 169.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -64.11 -11.02 26.12 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -171.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -92.32 -5.24 52.63 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.4 m -66.9 139.87 57.75 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.951 1.301 . . . . 0.0 110.291 174.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.2 m -115.5 168.52 9.92 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.229 1.012 . . . . 0.0 112.411 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -57.87 -35.88 71.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.51 1.124 . . . . 0.0 113.063 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -69.91 -40.65 75.45 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.781 -0.575 . . . . 0.0 111.613 174.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.9 m -57.85 -44.71 86.71 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.235 1.414 . . . . 0.0 110.606 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.0 tp -73.92 -36.21 64.69 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -60.0 -42.84 95.13 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.747 0.703 . . . . 0.0 111.113 171.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.32 -41.11 85.81 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.114 0.965 . . . . 0.0 111.73 -176.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -65.87 -32.44 73.96 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -83.17 -7.24 59.65 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -175.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -66.56 -17.99 65.12 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.727 1.149 . . . . 0.0 113.019 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -71.23 -16.86 62.52 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.01 0.924 . . . . 0.0 113.363 174.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -96.89 -12.85 22.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.601 1.16 . . . . 0.0 112.961 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.69 -160.28 23.97 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.6 1.571 . . . . 0.0 112.824 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -76.93 139.38 40.16 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.334 1.454 . . . . 0.0 112.251 -175.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.6 mt -116.96 130.65 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.341 1.456 . . . . 0.0 110.473 -168.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.75 -47.91 28.48 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.879 1.272 . . . . 0.0 111.204 173.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -168.91 151.39 4.89 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.532 1.933 . . . . 0.0 109.168 -172.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.77 146.37 30.25 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.827 1.251 . . . . 0.0 110.558 172.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.5 m -150.04 157.22 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.804 1.642 . . . . 0.0 111.203 -173.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.9 t -125.55 131.93 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.186 1.394 . . . . 0.0 107.487 169.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.403 HG13 ' CE2' ' A' ' 78' ' ' TYR . 50.3 mm -77.64 111.73 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 123.818 0.847 . . . . 0.0 110.775 -169.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.3 p -117.09 133.28 56.2 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.726 2.01 . . . . 0.0 108.577 171.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.438 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 8.7 t70 -55.53 131.98 47.48 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -168.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.7 mtp-105 -58.05 -22.5 50.37 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -107.41 -38.28 5.99 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.21 1.804 . . . . 0.0 112.442 -174.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 p -120.24 -10.41 9.36 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -172.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 60.74 12.84 3.96 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.846 2.058 . . . . 0.0 113.85 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.438 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -72.37 138.29 47.13 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.919 -1.113 . . . . 0.0 110.73 175.587 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -74.54 135.29 42.15 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.378 -0.826 . . . . 0.0 111.793 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -82.69 -10.34 58.96 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.83 9.57 82.59 Favored Glycine 0 N--CA 1.473 1.151 0 C-N-CA 123.996 0.808 . . . . 0.0 113.717 -173.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.403 ' CE2' HG13 ' A' ' 67' ' ' ILE . 8.6 p90 -142.63 161.32 38.38 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.632 1.173 . . . . 0.0 114.075 175.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.56 -172.3 15.04 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 127.39 2.424 . . . . 0.0 112.607 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -136.48 149.6 48.27 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.183 1.793 . . . . 0.0 110.759 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.5 t -137.72 142.17 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 126.018 1.727 . . . . 0.0 108.43 174.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.9 m -127.31 135.67 50.87 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.86 0.864 . . . . 0.0 108.994 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 90.3 mmm -102.47 142.89 32.92 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.435 1.094 . . . . 0.0 111.574 -173.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -69.76 -19.75 63.51 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.917 1.081 . . . . 0.0 113.917 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -136.66 145.32 44.67 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.363 1.465 . . . . 0.0 111.031 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -67.05 -35.18 79.3 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.276 1.03 . . . . 0.0 112.743 -171.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.59 -30.04 69.55 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 173.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 m -68.55 -29.92 68.59 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.751 -1.218 . . . . 0.0 112.589 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.24 -30.73 66.69 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.308 -0.87 . . . . 0.0 112.16 169.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.08 -26.91 63.26 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.9 mtt85 -70.14 -33.5 71.87 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.336 -0.852 . . . . 0.0 111.435 170.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.23 -48.28 29.88 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.043 0.937 . . . . 0.0 112.932 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.4 p -70.87 -16.32 62.69 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm -68.35 -15.83 63.71 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 173.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -119.82 88.4 39.87 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 124.761 1.225 . . . . 0.0 109.638 169.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -76.89 -20.87 12.91 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.352 2.701 . . . . 0.0 113.093 -174.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -128.68 73.08 81.13 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.59 1.156 . . . . 0.0 112.093 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.36 -11.75 10.61 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 124.512 3.475 . . . . 0.0 115.798 -173.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 mm 64.55 55.88 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 125.776 1.63 . . . . 0.0 111.148 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.3 mt -70.0 123.68 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.052 -1.03 . . . . 0.0 109.508 -177.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 t0 64.65 13.6 8.44 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.684 1.594 . . . . 0.0 113.666 171.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.24 36.22 5.25 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.554 1.55 . . . . 0.0 115.205 176.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -152.9 144.2 23.22 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.437 1.118 . . . . 0.0 109.407 169.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -62.99 96.05 0.09 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.404 0.682 . . . . 0.0 111.849 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.06 164.79 25.53 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.169 0.988 . . . . 0.0 111.013 174.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -134.47 92.84 2.97 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.924 1.69 . . . . 0.0 107.817 -176.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.2 t -100.53 124.33 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.736 1.614 . . . . 0.0 109.59 -170.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -164.56 159.71 19.49 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.318 1.047 . . . . 0.0 112.667 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.3 mt -52.59 146.11 10.62 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.6 0.76 . . . . 0.0 110.189 169.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.15 -85.79 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -176.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -30.19 3.4 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.028 1 N-CA-C 124.275 4.917 . . . . 0.0 124.275 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 mt -87.28 -74.72 0.43 Allowed 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 124.759 3.436 . . . . 0.0 112.058 -169.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.19 11.22 63.57 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.354 1.454 . . . . 0.0 112.782 171.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.12 132.09 52.49 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.249 1.42 . . . . 0.0 111.651 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -90.66 153.18 45.62 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 124.515 1.126 . . . . 0.0 113.315 -169.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.45 137.38 65.16 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 124.284 3.323 . . . . 0.0 111.277 168.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -161.45 148.3 14.54 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.64 1.176 . . . . 0.0 111.132 -175.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.6 t -58.63 138.77 56.73 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.121 1.368 . . . . 0.0 111.813 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -158.9 155.95 28.64 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.663 1.985 . . . . 0.0 110.89 -170.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.9 p -160.54 143.54 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.412 1.485 . . . . 0.0 110.667 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.059 1.744 . . . . 0.0 111.361 -177.349 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 1 C3'-C2'-C1' 105.527 4.474 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 0 O4'-C1'-N19 111.876 3.676 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 1 C5'-C4'-C3' 109.378 -4.081 . 0.616 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C3'-C2'-C1' 99.136 -2.626 . 0.534 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.032 0 C3'-C2'-C1' 105.058 3.953 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.453 1 C3'-C2'-C1' 105.753 4.726 . 0.192 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.8 p -91.9 -6.64 51.09 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.6 p -83.87 160.55 21.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.055 1.742 . . . . 0.0 112.168 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -93.54 16.06 14.56 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.653 1.581 . . . . 0.0 114.114 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.45 163.27 39.35 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.605 1.562 . . . . 0.0 112.298 -173.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -73.48 150.07 89.02 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.092 0.957 . . . . 0.0 112.359 -176.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.87 155.98 35.51 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.223 3.282 . . . . 0.0 113.66 174.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.5 t -71.41 118.92 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.772 0.829 . . . . 0.0 109.463 174.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.7 p -145.94 17.48 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 124.963 1.305 . . . . 0.0 112.631 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.61 -162.11 35.19 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 125.262 1.411 . . . . 0.0 113.042 -177.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -160.61 174.09 14.53 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.781 1.233 . . . . 0.0 111.853 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -157.65 122.7 4.45 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.642 1.577 . . . . 0.0 110.362 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 48.09 -118.75 1.02 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.005 1.722 . . . . 0.0 110.967 -174.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.4 p -121.88 16.46 10.95 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.054 1.742 . . . . 0.0 112.28 171.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 53.2 ttm -56.19 -30.49 62.34 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.54 1.136 . . . . 0.0 113.362 -175.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -112.44 9.06 19.62 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.64 1.176 . . . . 0.0 113.589 -176.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.3 p -133.78 -20.21 2.01 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.535 1.134 . . . . 0.0 113.923 -176.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -88.34 134.18 33.89 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.476 1.131 . . . . 0.0 111.159 169.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.0 mt -126.69 122.68 61.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 127.133 2.173 . . . . 0.0 108.121 -168.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -77.91 135.47 37.88 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.963 1.305 . . . . 0.0 108.416 168.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 t -135.53 78.66 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 124.286 1.034 . . . . 0.0 109.297 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.34 177.5 50.38 Favored Glycine 0 N--CA 1.466 0.641 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.38 169.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.39 22.99 66.34 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.782 1.182 . . . . 0.0 113.986 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.5 mt -80.97 151.15 70.11 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 125.314 1.446 . . . . 0.0 110.725 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.22 143.28 31.67 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.033 1.822 . . . . 0.0 108.322 167.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.09 -12.33 18.7 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -169.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -91.15 1.12 57.33 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.487 1.515 . . . . 0.0 114.803 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.4 m -66.69 135.01 53.4 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.812 1.245 . . . . 0.0 109.401 171.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.9 m -109.9 168.7 9.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.977 0.911 . . . . 0.0 112.086 175.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.94 -38.48 72.98 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.623 1.169 . . . . 0.0 112.315 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -72.92 -36.25 67.21 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.884 0.874 . . . . 0.0 112.31 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 m -57.81 -41.08 81.43 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.928 1.291 . . . . 0.0 110.801 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 tp -73.04 -40.43 65.13 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.608 0.763 . . . . 0.0 112.502 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -59.63 -38.2 80.72 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.701 -0.624 . . . . 0.0 111.715 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -72.12 -14.46 61.84 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.974 1.31 . . . . 0.0 113.266 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -91.23 -41.22 11.09 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.232 0.924 . . . . 0.0 112.555 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.08 -14.19 59.3 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -174.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -6.96 40.97 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -179.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -76.54 -17.32 59.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.873 0.869 . . . . 0.0 112.95 170.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -95.5 -14.66 23.49 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.626 1.17 . . . . 0.0 113.456 -175.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.98 -146.76 18.23 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.641 1.115 . . . . 0.0 112.723 -178.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -89.34 123.48 33.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.065 0.946 . . . . 0.0 112.292 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.8 mt -95.68 128.3 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.404 1.082 . . . . 0.0 109.692 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -81.28 -45.92 15.52 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.075 1.75 . . . . 0.0 110.282 174.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -164.75 148.62 9.02 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.694 1.997 . . . . 0.0 109.584 177.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.49 142.54 32.29 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.644 1.178 . . . . 0.0 110.954 176.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.3 m -148.86 157.06 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.945 1.298 . . . . 0.0 112.277 -173.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.4 t -120.47 134.48 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.921 1.689 . . . . 0.0 107.87 169.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 30.6 mm -84.69 99.47 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.533 1.133 . . . . 0.0 109.93 -169.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.5 p -117.57 111.98 19.94 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 127.731 2.413 . . . . 0.0 109.747 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.416 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 12.5 t70 -30.87 134.41 0.06 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 128.892 2.877 . . . . 0.0 118.765 -166.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.6 mtt85 -56.31 -27.08 54.38 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -119.31 -25.38 6.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.31 1.444 . . . . 0.0 114.007 -171.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.5 p -119.48 -12.18 9.38 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.074 1.35 . . . . 0.0 114.506 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 59.04 17.73 5.72 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.556 1.942 . . . . 0.0 113.405 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -76.86 136.34 38.88 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.13 1.372 . . . . 0.0 110.59 174.784 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.5 t -69.88 137.38 51.6 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.988 -1.07 . . . . 0.0 111.527 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -89.31 2.41 54.39 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.972 0.909 . . . . 0.0 113.232 173.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.8 8.92 83.68 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 124.56 1.076 . . . . 0.0 113.984 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -138.57 155.56 48.25 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.56 -179.11 16.89 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 127.486 2.47 . . . . 0.0 112.12 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -136.13 145.86 46.32 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.456 1.502 . . . . 0.0 110.19 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.0 t -134.81 125.88 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.787 1.235 . . . . 0.0 109.054 176.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.6 m -106.98 125.78 51.45 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.383 1.073 . . . . 0.0 108.493 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 80.3 mmm -95.0 151.04 19.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.895 1.278 . . . . 0.0 110.3 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -72.75 -17.1 61.63 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -156.22 153.64 29.5 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.172 1.389 . . . . 0.0 112.216 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -57.46 -28.69 63.58 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.387 1.075 . . . . 0.0 113.286 178.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.05 -24.92 63.34 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.2 m -84.73 -33.75 23.03 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.427 -0.796 . . . . 0.0 111.291 169.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.69 -34.77 74.39 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.17 -42.61 88.68 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.907 0.776 . . . . 0.0 111.056 175.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -61.04 -31.48 71.12 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.385 1.074 . . . . 0.0 111.864 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.59 -12.09 60.0 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.2 p -108.97 -0.84 19.39 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -60.12 -28.59 67.99 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -122.54 111.37 31.56 Favored Pre-proline 0 CA--C 1.547 0.827 0 C-N-CA 126.128 1.771 . . . . 0.0 109.389 170.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -79.85 -12.38 13.48 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.136 2.558 . . . . 0.0 113.489 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -132.48 71.01 79.49 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 124.928 1.291 . . . . 0.0 112.218 -178.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -79.41 -11.53 14.4 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 124.376 3.384 . . . . 0.0 116.561 -171.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.3 mm 64.86 60.49 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 125.969 1.707 . . . . 0.0 111.449 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.0 mt -71.76 117.28 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.095 -1.003 . . . . 0.0 110.165 -176.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 t70 61.27 15.92 6.86 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.028 2.131 . . . . 0.0 114.796 174.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.24 34.52 3.64 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.081 1.324 . . . . 0.0 115.619 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -154.04 141.77 20.0 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.843 1.257 . . . . 0.0 109.606 172.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -66.62 103.03 0.99 Allowed 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.713 -0.617 . . . . 0.0 111.857 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.1 161.75 29.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.27 1.028 . . . . 0.0 111.105 175.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -127.33 110.58 12.96 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.157 1.383 . . . . 0.0 108.361 171.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 58.2 t -113.95 122.67 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.865 1.266 . . . . 0.0 110.38 -169.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -165.76 163.67 18.9 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.897 1.679 . . . . 0.0 111.615 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.7 mt -56.26 146.26 24.24 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.436 0.694 . . . . 0.0 111.314 174.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -49.05 -84.7 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -29.95 0.38 0.0 OUTLIER 'General case' 0 CA--C 1.574 1.903 1 N-CA-C 124.056 4.835 . . . . 0.0 124.056 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.6 mt -84.63 -58.3 2.78 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 124.238 3.199 . . . . 0.0 111.628 -169.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -93.28 13.93 66.46 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.601 1.572 . . . . 0.0 113.579 174.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.59 137.04 58.15 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.777 1.631 . . . . 0.0 113.067 -174.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -95.2 149.5 36.3 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 124.036 0.935 . . . . 0.0 112.466 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -76.44 169.96 20.89 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.745 2.963 . . . . 0.0 112.074 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -134.48 13.51 3.78 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.631 1.572 . . . . 0.0 113.239 176.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 68.1 p 49.9 40.9 21.87 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 127.812 2.445 . . . . 0.0 114.022 172.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -67.09 149.84 49.99 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.901 0.88 . . . . 0.0 112.328 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.8 p -163.45 138.67 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.372 1.869 . . . . 0.0 109.788 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.025 1.73 . . . . 0.0 111.548 -175.292 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ' G' . . . . . 0.413 H5'' ' C5 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.524 2 O4'-C1'-N19 114.657 6.457 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.413 ' C5 ' H5'' ' B' ' 7' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.417 1 C5'-C4'-C3' 109.463 -4.025 . 0.186 5q . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 O4'-C1'-N19 111.713 3.513 . 0.612 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.978 2 O4'-C1'-N19 112.814 4.614 . 0.598 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.959 1 C3'-C2'-C1' 106.141 5.156 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.019 0 O4'-C1'-N19 111.687 3.487 . 0.118 3b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.8 p -141.38 -20.05 0.77 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -99.33 128.18 45.42 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.101 1.36 . . . . 0.0 110.451 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.0 mt -125.41 119.63 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.514 1.526 . . . . 0.0 109.803 -168.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -81.56 137.07 35.58 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 167.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -134.83 92.27 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 123.961 0.904 . . . . 0.0 109.45 -176.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.53 -175.26 31.18 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.389 0.519 . . . . 0.0 113.375 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.09 17.52 71.96 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.347 0.975 . . . . 0.0 114.24 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.25 151.28 92.22 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 125.118 1.367 . . . . 0.0 110.64 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.22 141.9 36.69 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 121.958 1.772 . . . . 0.0 108.47 168.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -62.87 -11.77 20.49 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.948 1.833 . . . . 0.0 115.948 -168.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -87.39 -3.1 59.01 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -66.73 133.97 51.27 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.018 1.327 . . . . 0.0 109.97 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.2 m -110.71 169.49 8.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.387 1.075 . . . . 0.0 111.816 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -56.11 -37.1 68.95 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.32 1.048 . . . . 0.0 112.92 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -71.85 -36.97 70.32 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 173.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.2 m -59.84 -42.04 92.71 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.079 1.352 . . . . 0.0 110.434 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.0 tp -73.19 -40.46 64.75 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.82 0.848 . . . . 0.0 112.441 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.36 -37.26 82.71 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.61 -0.682 . . . . 0.0 111.971 174.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -72.91 -13.29 61.23 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.927 1.291 . . . . 0.0 112.848 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -95.16 -40.72 9.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.913 0.779 . . . . 0.0 112.615 171.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -75.47 -14.11 60.41 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -7.24 37.76 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -76.95 -19.05 57.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.844 0.857 . . . . 0.0 113.032 170.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -93.44 -13.12 28.33 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.377 1.071 . . . . 0.0 113.08 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.55 -147.22 19.11 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 125.224 1.392 . . . . 0.0 112.856 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -87.55 121.5 30.07 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.888 0.875 . . . . 0.0 112.522 -169.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.6 mt -92.14 129.25 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.496 1.118 . . . . 0.0 109.898 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -83.27 -44.83 14.51 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.852 1.661 . . . . 0.0 110.454 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -164.15 151.05 11.61 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.398 1.879 . . . . 0.0 109.696 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.13 146.46 32.78 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.941 1.296 . . . . 0.0 111.099 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.9 m -151.99 160.8 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.988 1.715 . . . . 0.0 111.536 -174.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.5 t -130.06 134.57 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.434 1.494 . . . . 0.0 107.932 169.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.415 HG13 ' CE2' ' A' ' 78' ' ' TYR . 36.3 mm -80.89 111.42 17.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 C-N-CA 123.598 0.759 . . . . 0.0 111.38 -169.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.466 0.367 0 C-N-CA 126.989 2.116 . . . . 0.0 108.907 171.852 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 110.793 -0.077 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 -82.82 -0.12 46.52 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.16 4.76 83.78 Favored Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.893 1.235 . . . . 0.0 114.194 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CE2' HG13 ' A' ' 67' ' ' ILE . 23.9 p90 -143.21 160.68 40.0 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.76 -169.92 12.21 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 127.289 2.376 . . . . 0.0 112.371 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -137.11 150.1 47.77 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.465 1.506 . . . . 0.0 111.259 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.48 132.55 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.43 1.492 . . . . 0.0 108.402 172.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.6 m -113.98 133.03 55.75 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 172.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.0 mmm -103.24 148.17 26.14 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.502 1.121 . . . . 0.0 110.824 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -70.17 -16.03 63.03 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -154.89 152.01 29.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.247 1.419 . . . . 0.0 111.55 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 53.3 mtt85 -55.68 -33.01 63.75 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.21 1.404 . . . . 0.0 112.231 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.59 -18.66 64.37 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.539 1.136 . . . . 0.0 113.818 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.2 m -91.47 -29.91 16.76 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.039 -1.038 . . . . 0.0 112.169 171.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.87 -34.37 60.02 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.122 -0.986 . . . . 0.0 113.266 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.38 -38.15 90.04 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.626 0.648 . . . . 0.0 112.458 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -67.82 -26.97 66.33 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.667 1.187 . . . . 0.0 112.592 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.44 -51.0 11.51 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.784 0.834 . . . . 0.0 111.75 173.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.5 p -67.35 -19.21 65.41 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -64.33 -13.92 53.13 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 170.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -122.04 92.89 48.81 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 124.848 1.259 . . . . 0.0 109.695 169.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -75.98 -22.1 13.46 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.338 2.692 . . . . 0.0 113.146 -173.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -132.97 75.08 72.91 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.501 1.12 . . . . 0.0 112.003 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -81.1 -12.84 11.64 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 124.291 3.327 . . . . 0.0 116.191 -172.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 65.08 56.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 125.836 1.655 . . . . 0.0 111.401 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.66 119.2 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.104 -0.998 . . . . 0.0 110.276 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.48 19.07 6.19 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.641 1.976 . . . . 0.0 114.704 175.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.21 34.88 4.66 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.969 1.271 . . . . 0.0 115.515 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -152.66 142.27 21.84 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 118.755 1.277 . . . . 0.0 110.49 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -65.77 99.54 0.47 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.82 0.819 . . . . 0.0 112.072 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.94 169.09 18.75 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.739 1.216 . . . . 0.0 111.437 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -139.6 96.32 3.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.352 1.861 . . . . 0.0 108.815 -172.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 80.2 t -100.51 124.7 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.279 1.432 . . . . 0.0 109.354 -172.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -156.9 149.85 23.79 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.74 0.816 . . . . 0.0 113.0 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.8 mt -64.43 118.76 9.22 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.693 0.797 . . . . 0.0 108.918 170.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 1.177 0 N-CA-C 117.449 2.388 . . . . 0.0 117.449 -169.339 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.2 p -140.28 -23.17 0.82 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.75 125.69 35.39 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.659 1.184 . . . . 0.0 110.712 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.1 mt -121.5 120.52 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 126.139 1.776 . . . . 0.0 108.724 -170.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -80.55 137.7 36.43 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.136 1.374 . . . . 0.0 108.723 169.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.6 t -137.98 93.75 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.063 0.945 . . . . 0.0 109.633 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.401 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -104.2 -175.42 25.36 Favored Glycine 0 N--CA 1.47 0.921 0 C-N-CA 123.212 0.434 . . . . 0.0 113.612 175.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.71 17.36 73.0 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 123.96 0.79 . . . . 0.0 113.604 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.07 146.6 90.16 Favored Pre-proline 0 CA--C 1.541 0.628 0 C-N-CA 124.87 1.268 . . . . 0.0 110.344 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.14 142.81 42.76 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.23 1.953 . . . . 0.0 109.023 169.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -62.41 -11.98 18.89 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 -169.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -89.75 -0.66 57.68 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.446 1.498 . . . . 0.0 114.807 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.5 m -67.84 137.54 55.4 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.166 1.387 . . . . 0.0 109.734 173.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.0 p -111.56 169.43 8.82 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.965 0.906 . . . . 0.0 112.308 171.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -58.72 -29.38 66.65 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.37 -0.831 . . . . 0.0 112.702 171.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -72.0 -45.85 59.42 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.888 0.875 . . . . 0.0 111.268 171.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.2 m -56.0 -44.43 78.62 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.814 1.246 . . . . 0.0 110.939 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.8 tp -73.7 -39.51 64.3 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.736 0.815 . . . . 0.0 112.577 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -60.38 -38.93 85.47 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.551 -0.718 . . . . 0.0 111.463 172.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -71.91 -16.03 62.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.299 1.04 . . . . 0.0 113.253 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -87.39 -42.25 12.98 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.252 0.933 . . . . 0.0 112.101 169.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -79.6 -17.56 53.6 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -174.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -8.28 45.44 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -72.0 -20.08 61.77 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.565 0.746 . . . . 0.0 112.791 170.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -92.82 -13.6 28.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.871 1.268 . . . . 0.0 112.848 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.94 -166.43 24.35 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.697 1.618 . . . . 0.0 112.659 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.39 136.78 56.93 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.882 1.273 . . . . 0.0 113.829 -174.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.9 mt -109.96 130.92 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.919 1.688 . . . . 0.0 109.711 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -72.53 -49.21 34.39 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.033 1.333 . . . . 0.0 110.964 170.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -166.14 147.82 6.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.675 1.99 . . . . 0.0 109.268 -173.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.32 148.89 46.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.37 1.468 . . . . 0.0 110.229 174.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.5 m -149.35 158.21 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.368 1.467 . . . . 0.0 111.097 -177.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 80.9 t -128.21 138.28 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.527 1.531 . . . . 0.0 107.175 168.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.1 mm -85.26 92.94 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 C-N-CA 124.07 0.948 . . . . 0.0 108.934 -171.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.471 0.602 0 C-N-CA 129.971 3.308 . . . . 0.0 108.2 -179.833 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.4 mtt85 -93.16 1.37 57.17 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.309 1.444 . . . . 0.0 113.096 172.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.15 10.91 70.64 Favored Glycine 0 N--CA 1.474 1.231 0 C-N-CA 124.895 1.236 . . . . 0.0 114.664 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.401 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 15.9 p90 -150.75 168.67 23.7 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -178.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -154.63 -171.56 21.58 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 127.767 2.603 . . . . 0.0 112.493 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -139.05 150.68 46.04 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.817 1.647 . . . . 0.0 111.099 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.51 132.14 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.307 1.443 . . . . 0.0 108.468 171.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.1 m -115.26 128.12 55.93 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.643 0.777 . . . . 0.0 109.008 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 74.7 mmm -94.51 145.19 24.97 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.472 1.109 . . . . 0.0 110.993 -175.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -66.65 -24.72 66.33 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -138.97 149.37 44.65 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.51 1.124 . . . . 0.0 112.681 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -59.1 -32.69 70.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.711 1.205 . . . . 0.0 112.314 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.32 90.6 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.09 0.859 . . . . 0.0 112.119 175.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 m -69.33 -31.05 69.26 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.184 -0.947 . . . . 0.0 112.396 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.37 -38.74 63.1 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.489 -0.757 . . . . 0.0 112.704 172.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -61.22 -39.69 91.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.57 0.748 . . . . 0.0 111.5 171.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -65.91 -32.43 73.93 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.937 0.895 . . . . 0.0 112.602 173.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.2 -33.17 59.28 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.6 p -76.66 -5.2 46.9 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.09 -25.63 67.81 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -124.38 108.18 29.47 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.246 1.418 . . . . 0.0 109.615 172.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -79.21 -14.61 13.22 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.073 2.515 . . . . 0.0 113.209 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -138.14 72.79 45.77 Favored Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 124.901 1.28 . . . . 0.0 111.362 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.04 -10.16 15.28 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 124.369 3.38 . . . . 0.0 116.385 -169.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.3 mm 65.43 55.59 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 125.442 1.497 . . . . 0.0 111.285 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.7 mt -67.24 120.65 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.437 1.095 . . . . 0.0 110.365 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.66 22.87 8.77 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.755 2.022 . . . . 0.0 114.223 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.6 26.44 9.91 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.693 1.14 . . . . 0.0 115.46 172.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -148.4 138.28 22.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.047 1.424 . . . . 0.0 110.382 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.85 104.64 0.71 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.605 0.762 . . . . 0.0 112.612 -173.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.12 171.76 13.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.56 1.144 . . . . 0.0 111.325 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -136.55 112.77 9.82 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.382 1.873 . . . . 0.0 108.808 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 84.2 t -115.13 127.56 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.517 1.527 . . . . 0.0 110.27 -171.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -165.85 155.49 12.25 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.594 1.158 . . . . 0.0 113.014 171.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.3 mt -53.78 137.05 39.0 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 167.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.283 0 N-CA-C 116.631 2.085 . . . . 0.0 116.631 -169.58 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 CA--C 1.543 0.703 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.4 p -143.31 -25.31 0.59 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.393 1.477 . . . . 0.0 114.192 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -84.9 123.74 30.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.705 1.202 . . . . 0.0 110.333 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 22.4 mt -122.52 120.35 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 126.159 1.783 . . . . 0.0 108.881 -171.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -84.3 134.48 34.51 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.087 1.355 . . . . 0.0 107.772 168.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.6 t -135.88 92.68 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.919 0.888 . . . . 0.0 109.394 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.412 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -105.29 -175.42 24.27 Favored Glycine 0 N--CA 1.468 0.773 0 C-N-CA 123.239 0.447 . . . . 0.0 113.757 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.4 24.1 76.99 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 123.438 0.542 . . . . 0.0 113.393 -172.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.6 mt -78.99 152.41 76.95 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 125.181 1.392 . . . . 0.0 109.837 171.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -76.08 154.9 37.84 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.277 1.985 . . . . 0.0 109.847 169.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -68.34 -5.14 17.17 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -172.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -97.54 -3.77 39.11 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.6 m -68.72 142.49 54.98 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.291 1.437 . . . . 0.0 110.571 176.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -116.76 169.66 9.2 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.471 1.109 . . . . 0.0 112.524 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -57.46 -41.69 81.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.746 1.219 . . . . 0.0 112.61 -175.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -71.58 -34.39 69.9 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.525 0.73 . . . . 0.0 112.765 175.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.1 m -57.18 -39.14 74.75 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.585 1.154 . . . . 0.0 110.96 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.0 tp -77.29 -40.01 45.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.652 0.781 . . . . 0.0 112.809 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.44 -39.59 80.26 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.693 -0.63 . . . . 0.0 111.777 173.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -74.43 -11.71 60.31 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.426 1.49 . . . . 0.0 112.932 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -92.76 -42.42 9.59 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.082 0.855 . . . . 0.0 112.028 169.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -77.29 -15.61 59.35 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -6.4 30.58 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 178.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -74.9 -19.4 60.16 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.491 -0.755 . . . . 0.0 112.79 169.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -94.0 -15.31 24.98 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.679 1.191 . . . . 0.0 113.081 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.23 -145.68 15.77 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 124.876 1.226 . . . . 0.0 112.773 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -93.17 134.87 34.9 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.285 1.034 . . . . 0.0 112.558 -169.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -111.25 128.95 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.179 1.392 . . . . 0.0 110.243 -175.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -71.75 -49.39 39.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.902 1.281 . . . . 0.0 111.041 169.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -165.59 147.59 7.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.71 2.004 . . . . 0.0 108.902 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.35 143.37 29.05 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.015 1.326 . . . . 0.0 110.659 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.9 m -150.85 159.68 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.244 1.418 . . . . 0.0 111.615 -171.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.7 t -125.35 131.06 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.952 1.701 . . . . 0.0 108.011 169.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.421 HG13 ' CE2' ' A' ' 78' ' ' TYR . 46.9 mm -76.73 116.92 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.954 0.902 . . . . 0.0 111.025 -169.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.469 0.48 0 C-N-CA 127.078 2.151 . . . . 0.0 109.008 175.29 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 121.51 0.671 . . . . 0.0 112.395 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -89.02 -2.75 58.73 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.416 1.486 . . . . 0.0 113.767 173.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.82 14.22 80.0 Favored Glycine 0 N--CA 1.474 1.169 0 C-N-CA 123.955 0.788 . . . . 0.0 114.045 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.421 ' CE2' HG13 ' A' ' 67' ' ' ILE . 14.2 p90 -150.45 163.16 39.09 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.109 1.364 . . . . 0.0 113.644 176.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.08 -175.34 14.69 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 126.661 2.077 . . . . 0.0 112.955 174.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -130.46 147.35 52.15 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 125.948 1.699 . . . . 0.0 110.623 174.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.8 t -137.44 130.23 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.659 1.584 . . . . 0.0 108.19 174.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -117.45 126.27 52.34 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.559 0.744 . . . . 0.0 109.048 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 76.8 mmm -94.16 145.45 24.69 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.467 1.107 . . . . 0.0 111.313 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -67.86 -21.02 65.19 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -150.07 151.09 32.67 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.367 1.467 . . . . 0.0 110.925 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -55.5 -32.14 62.61 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.56 1.144 . . . . 0.0 112.069 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.55 -22.67 66.15 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.0 m -85.48 -29.26 24.43 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.422 -0.798 . . . . 0.0 112.001 173.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.12 -37.94 57.44 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.109 -0.994 . . . . 0.0 112.488 173.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.33 -30.71 69.7 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.238 1.015 . . . . 0.0 112.172 171.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -75.07 -26.92 59.71 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 173.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.5 -25.35 45.63 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.5 p -77.31 -2.85 36.94 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -64.27 -24.93 67.83 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.165 1.386 . . . . 0.0 114.69 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -129.64 107.15 17.11 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.036 1.335 . . . . 0.0 110.156 171.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.84 -18.0 11.92 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.198 2.599 . . . . 0.0 112.971 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -134.57 68.34 72.22 Favored Pre-proline 0 CA--C 1.554 1.12 0 C-N-CA 125.388 1.475 . . . . 0.0 111.653 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.52 -8.98 16.14 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 124.474 3.449 . . . . 0.0 116.93 -169.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 63.79 56.92 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 125.625 1.57 . . . . 0.0 111.178 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.0 mt -72.74 123.53 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.022 -1.049 . . . . 0.0 109.359 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t0 65.38 12.89 8.45 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.96 1.704 . . . . 0.0 113.857 172.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.41 39.22 4.27 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.458 1.504 . . . . 0.0 114.918 175.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -155.09 141.53 18.71 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.024 1.329 . . . . 0.0 109.069 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -64.42 101.53 0.45 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.3 0.571 . . . . 0.0 111.662 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.35 175.2 10.47 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.45 1.1 . . . . 0.0 111.184 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -150.04 99.22 2.8 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.962 1.705 . . . . 0.0 108.468 -171.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.4 t -106.84 124.37 62.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.447 1.499 . . . . 0.0 110.007 -169.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -163.25 155.23 17.81 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.258 1.023 . . . . 0.0 113.334 175.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.4 mt -54.93 144.83 21.75 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.629 0.772 . . . . 0.0 109.678 169.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.342 0 N-CA-C 116.482 2.031 . . . . 0.0 116.482 -171.913 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 . . . . . 0 CA--C 1.543 0.698 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.0 p -135.64 -25.06 1.31 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.173 1.389 . . . . 0.0 113.81 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -89.46 130.6 35.78 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.864 1.666 . . . . 0.0 110.879 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.9 mt -128.49 118.75 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 126.461 1.904 . . . . 0.0 108.706 -170.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -84.03 134.4 34.63 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.711 1.204 . . . . 0.0 107.883 168.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.8 t -135.95 92.9 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.873 0.869 . . . . 0.0 109.685 -173.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.463 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -103.99 -175.02 25.57 Favored Glycine 0 N--CA 1.47 0.907 0 C-N-CA 123.393 0.52 . . . . 0.0 114.002 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.71 15.0 73.18 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 123.808 0.718 . . . . 0.0 113.908 -174.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 98.2 mt -70.92 145.86 92.29 Favored Pre-proline 0 C--O 1.241 0.619 0 C-N-CA 124.923 1.289 . . . . 0.0 110.149 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.07 143.24 35.73 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.233 1.956 . . . . 0.0 108.991 169.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -60.3 -17.12 40.39 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -82.58 -3.01 55.39 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.8 m -67.66 126.52 29.64 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.921 1.288 . . . . 0.0 109.575 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.6 p -94.64 166.64 11.92 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.999 0.904 . . . . 0.0 112.571 173.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -53.87 -36.73 62.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.002 1.321 . . . . 0.0 111.937 173.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -82.29 -29.79 30.95 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.241 1.016 . . . . 0.0 112.809 177.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -62.36 -43.24 99.28 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.869 0.868 . . . . 0.0 110.139 173.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.49 -39.94 81.12 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.137 0.575 . . . . 0.0 112.28 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -58.76 -38.83 79.32 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.716 -0.615 . . . . 0.0 111.711 173.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -75.75 -10.66 59.62 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.747 1.219 . . . . 0.0 113.519 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -92.14 -41.13 10.64 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.224 0.92 . . . . 0.0 111.93 168.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -78.86 -14.11 59.42 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -174.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -8.65 49.33 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -73.99 -18.26 60.88 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.858 0.863 . . . . 0.0 112.938 170.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -94.64 -10.75 30.89 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.698 1.199 . . . . 0.0 113.16 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.66 -160.54 23.82 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.631 1.586 . . . . 0.0 112.73 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -72.28 125.01 26.27 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.593 1.157 . . . . 0.0 112.757 -172.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.8 mt -92.61 127.07 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.54 1.136 . . . . 0.0 109.858 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -85.07 -34.87 22.15 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.232 1.813 . . . . 0.0 111.663 176.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -164.81 147.7 8.54 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.864 2.066 . . . . 0.0 108.903 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.81 133.82 15.98 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.213 1.005 . . . . 0.0 110.536 172.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.2 m -151.11 158.92 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.272 1.429 . . . . 0.0 111.633 -172.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.0 t -121.95 133.46 68.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.093 1.757 . . . . 0.0 108.219 170.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.454 HG13 ' CE2' ' A' ' 78' ' ' TYR . 36.9 mm -75.75 127.92 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.634 0.774 . . . . 0.0 110.479 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.469 0.499 0 C-N-CA 126.635 1.974 . . . . 0.0 109.816 -177.197 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -90.96 -2.9 57.66 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.16 3.5 87.35 Favored Glycine 0 N--CA 1.475 1.268 0 C-N-CA 124.739 1.161 . . . . 0.0 114.331 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.463 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 15.2 p90 -149.4 163.46 37.7 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.257 1.423 . . . . 0.0 113.897 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.53 -173.79 13.6 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 126.649 2.071 . . . . 0.0 112.873 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -130.11 145.61 51.71 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 125.983 1.713 . . . . 0.0 110.624 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -135.89 136.62 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.432 1.493 . . . . 0.0 108.306 173.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -124.62 134.9 52.77 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.805 1.242 . . . . 0.0 108.291 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 87.4 mmm -106.88 139.82 40.68 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.452 1.101 . . . . 0.0 110.952 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -66.26 -19.3 65.78 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -175.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -137.41 149.37 46.87 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.33 1.452 . . . . 0.0 111.349 172.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.07 -39.77 69.64 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.369 1.068 . . . . 0.0 112.246 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.4 -25.4 65.03 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.565 -0.709 . . . . 0.0 112.573 -176.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.1 m -75.4 -29.57 59.83 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.151 -0.968 . . . . 0.0 112.254 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.46 -35.4 60.89 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.316 -0.865 . . . . 0.0 111.893 169.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.33 -42.91 96.63 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.224 0.609 . . . . 0.0 111.336 169.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -63.68 -34.37 77.7 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.748 0.819 . . . . 0.0 112.736 172.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.7 -35.1 67.56 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.6 p -77.13 -4.84 46.55 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -62.31 -26.15 68.26 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -124.98 107.22 28.42 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 125.337 1.455 . . . . 0.0 109.839 173.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.44 -15.54 13.97 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 123.056 2.504 . . . . 0.0 113.188 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -135.54 72.5 64.0 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.912 1.285 . . . . 0.0 112.111 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.43 -11.83 14.25 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 124.33 3.354 . . . . 0.0 116.491 -171.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.9 mm 63.96 56.54 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 125.678 1.591 . . . . 0.0 111.297 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.3 mt -69.23 118.15 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 121.035 -1.041 . . . . 0.0 110.062 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.48 21.75 8.85 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.543 1.937 . . . . 0.0 114.641 175.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.84 32.72 5.53 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.749 1.166 . . . . 0.0 115.787 171.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -152.42 141.98 21.76 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 118.738 1.269 . . . . 0.0 109.936 171.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.32 101.62 0.45 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.595 0.712 . . . . 0.0 111.971 -177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.69 166.97 22.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.491 1.116 . . . . 0.0 111.012 175.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -135.99 102.56 5.08 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.189 1.796 . . . . 0.0 108.223 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.6 t -107.62 125.86 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.378 1.471 . . . . 0.0 110.039 -170.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -163.89 155.7 16.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.328 1.051 . . . . 0.0 113.162 174.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -54.27 141.24 30.43 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.438 0.695 . . . . 0.0 109.4 168.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.363 0 N-CA-C 116.305 1.965 . . . . 0.0 116.305 -174.953 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 CA--C 1.544 0.737 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.9 p -134.51 -27.31 1.35 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.444 1.498 . . . . 0.0 113.59 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HE2' ' CE1' ' A' ' 80' ' ' PHE . 88.4 tttt -88.51 130.11 35.3 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.982 1.713 . . . . 0.0 110.704 176.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 mt -127.19 119.79 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 126.25 1.82 . . . . 0.0 108.797 -170.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -83.87 137.32 33.74 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.88 1.272 . . . . 0.0 108.189 168.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.7 t -136.71 92.88 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.971 0.909 . . . . 0.0 109.609 -176.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.1 -174.72 26.47 Favored Glycine 0 N--CA 1.469 0.877 0 C-N-CA 123.136 0.398 . . . . 0.0 113.604 176.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.17 16.44 75.14 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 123.767 0.699 . . . . 0.0 114.182 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -74.33 150.42 87.29 Favored Pre-proline 0 C--O 1.241 0.623 0 C-N-CA 125.44 1.496 . . . . 0.0 110.44 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.21 152.22 44.7 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.302 2.001 . . . . 0.0 109.494 169.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -66.87 -9.01 33.21 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 -171.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -93.33 -4.14 52.18 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m -67.81 140.22 56.62 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.006 1.322 . . . . 0.0 110.265 175.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.1 m -115.8 168.91 9.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.42 1.088 . . . . 0.0 112.187 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -57.15 -36.18 70.42 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.402 1.081 . . . . 0.0 113.149 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -70.37 -39.91 74.33 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.285 0.634 . . . . 0.0 111.83 173.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -59.08 -43.36 91.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.2 1.4 . . . . 0.0 110.692 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.5 tp -74.45 -37.35 63.29 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -59.07 -41.16 87.29 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.592 0.633 . . . . 0.0 111.413 173.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -66.4 -34.03 77.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.003 0.921 . . . . 0.0 112.74 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -72.26 -30.33 64.74 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.367 -0.833 . . . . 0.0 113.126 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -86.43 -7.21 58.62 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -173.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -65.92 -18.99 65.71 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.373 0.988 . . . . 0.0 113.035 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -72.41 -15.68 61.84 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.359 1.063 . . . . 0.0 113.55 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -98.61 -12.82 20.75 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.466 1.106 . . . . 0.0 113.17 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.7 -156.96 22.36 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.509 1.528 . . . . 0.0 113.06 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -75.31 126.98 32.12 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.059 1.344 . . . . 0.0 112.687 -172.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.5 mt -99.9 126.94 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.933 1.293 . . . . 0.0 109.592 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -81.62 -44.37 17.31 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.933 1.693 . . . . 0.0 110.597 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -164.94 151.97 10.9 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.538 1.935 . . . . 0.0 109.318 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.7 143.88 26.74 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.769 1.228 . . . . 0.0 110.884 175.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 m -151.63 157.48 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.784 1.633 . . . . 0.0 111.317 -173.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.2 t -126.51 132.86 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.219 1.407 . . . . 0.0 107.519 169.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.9 mm -80.19 109.83 15.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 123.782 0.833 . . . . 0.0 111.026 -169.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.469 0.478 0 C-N-CA 126.999 2.12 . . . . 0.0 109.451 177.372 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 120.82 0.343 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -90.5 3.62 53.43 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 170.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.0 14.91 68.42 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 124.257 0.932 . . . . 0.0 114.321 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -149.94 163.09 39.0 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.099 1.36 . . . . 0.0 114.094 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.58 -172.15 14.95 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 127.053 2.263 . . . . 0.0 112.794 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CE1' ' HE2' ' A' ' 36' ' ' LYS . 25.1 m-85 -133.97 149.73 51.24 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.817 1.647 . . . . 0.0 111.023 175.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.4 t -136.77 136.27 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.814 1.645 . . . . 0.0 108.178 172.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.8 m -121.71 135.47 54.95 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.168 0.987 . . . . 0.0 108.57 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 87.8 mmm -106.3 146.2 30.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.498 1.119 . . . . 0.0 111.257 -174.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -71.61 -14.52 62.09 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -140.96 151.21 44.0 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.306 1.443 . . . . 0.0 110.904 170.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -49.27 -47.32 46.8 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.052 0.941 . . . . 0.0 112.457 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.37 -24.41 65.69 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.723 -0.61 . . . . 0.0 112.352 -171.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.6 m -75.44 -29.63 59.74 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.143 -0.973 . . . . 0.0 112.77 174.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.17 -34.7 49.53 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.153 -0.967 . . . . 0.0 111.879 169.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -63.59 -37.34 86.97 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.214 1.006 . . . . 0.0 111.413 172.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -66.43 -33.25 75.3 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.338 1.055 . . . . 0.0 112.936 170.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.63 64.26 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.6 p -74.91 -6.05 47.07 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.69 -27.34 69.15 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -120.76 104.49 42.02 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 125.163 1.385 . . . . 0.0 109.477 170.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.34 -18.59 12.36 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.927 2.418 . . . . 0.0 113.035 -178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -131.15 69.71 82.31 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 124.605 1.162 . . . . 0.0 112.245 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -80.2 -9.72 13.89 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 124.479 3.452 . . . . 0.0 116.596 -171.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.7 mm 64.11 55.94 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.696 1.598 . . . . 0.0 111.138 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.1 mt -71.59 124.71 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.049 -1.032 . . . . 0.0 109.456 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.6 t0 64.85 13.72 8.72 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.872 1.669 . . . . 0.0 113.728 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.91 36.85 5.39 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.371 1.463 . . . . 0.0 115.061 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.2 ttt85 -153.05 143.69 22.72 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.461 1.131 . . . . 0.0 109.534 170.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -62.86 101.5 0.27 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.544 0.688 . . . . 0.0 111.739 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.42 174.48 11.52 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.587 1.155 . . . . 0.0 111.24 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -145.8 94.32 2.47 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.013 1.725 . . . . 0.0 108.622 -173.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 99.3 t -102.7 125.05 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.954 1.702 . . . . 0.0 109.626 -171.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -163.25 155.06 17.62 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.182 0.993 . . . . 0.0 113.095 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -54.2 141.16 30.27 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.383 0.673 . . . . 0.0 109.487 168.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.334 0 N-CA-C 116.557 2.058 . . . . 0.0 116.557 -171.188 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.1 p -135.18 -23.09 1.52 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.921 1.288 . . . . 0.0 113.974 -176.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -89.2 128.29 35.8 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.273 1.429 . . . . 0.0 110.765 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.0 mt -126.4 118.75 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.993 1.717 . . . . 0.0 108.825 -169.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -79.62 138.55 37.46 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.705 1.202 . . . . 0.0 108.785 169.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.2 t -137.68 94.5 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.781 0.832 . . . . 0.0 109.186 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.413 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -101.61 -176.08 28.42 Favored Glycine 0 N--CA 1.468 0.779 0 C-N-CA 122.966 0.317 . . . . 0.0 112.87 174.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.01 17.87 72.18 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 123.354 0.502 . . . . 0.0 113.521 -173.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.3 mt -74.59 141.52 76.34 Favored Pre-proline 0 C--O 1.239 0.552 0 C-N-CA 124.265 1.026 . . . . 0.0 109.205 173.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.7 146.53 67.06 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 121.968 1.779 . . . . 0.0 109.187 170.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -61.63 -13.79 25.27 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 -171.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -90.76 -5.55 55.54 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 115.105 1.521 . . . . 0.0 115.105 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.2 m -67.21 130.92 44.64 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.613 1.165 . . . . 0.0 109.323 169.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.2 m -105.51 171.01 7.56 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.31 1.044 . . . . 0.0 111.796 175.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -58.1 -34.95 70.74 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.104 -0.997 . . . . 0.0 112.882 176.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -72.35 -36.85 68.9 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 173.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.6 m -60.43 -42.76 96.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.21 1.404 . . . . 0.0 110.278 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.4 tp -73.2 -39.54 65.48 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.676 0.791 . . . . 0.0 112.59 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -59.42 -40.59 87.19 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.536 0.607 . . . . 0.0 111.451 173.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -67.0 -31.38 71.9 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.178 0.991 . . . . 0.0 112.567 -175.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -74.36 -32.13 62.66 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.27 -0.894 . . . . 0.0 113.112 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -84.43 -6.94 59.43 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -173.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -66.4 -17.11 64.59 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.496 1.044 . . . . 0.0 113.234 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -74.32 -15.47 60.95 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.565 1.146 . . . . 0.0 113.341 177.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -97.94 -13.23 21.28 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.419 1.088 . . . . 0.0 113.36 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.41 -145.32 17.41 Favored Glycine 0 C--N 1.339 0.726 0 C-N-CA 124.251 0.929 . . . . 0.0 113.346 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -88.24 119.81 29.01 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.174 0.99 . . . . 0.0 111.844 -170.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 52.1 mt -91.75 130.4 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.378 1.071 . . . . 0.0 109.273 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -89.93 -37.87 14.07 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.609 1.564 . . . . 0.0 111.648 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -166.42 152.91 8.98 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.314 1.846 . . . . 0.0 109.378 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.45 143.27 24.66 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.583 1.153 . . . . 0.0 110.77 174.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.7 m -151.45 158.9 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.627 1.571 . . . . 0.0 111.454 -173.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.45 133.55 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.796 1.638 . . . . 0.0 107.433 169.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.6 mm -81.7 124.82 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.628 0.771 . . . . 0.0 112.17 -168.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.47 0.537 0 C-N-CA 127.119 2.168 . . . . 0.0 110.432 -175.169 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -82.03 0.65 39.38 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.62 8.53 80.13 Favored Glycine 0 N--CA 1.475 1.239 0 C-N-CA 124.543 1.068 . . . . 0.0 114.194 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.413 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 13.4 p90 -148.02 164.32 34.16 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.822 1.249 . . . . 0.0 113.868 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.19 -169.93 15.05 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 127.081 2.277 . . . . 0.0 112.637 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -134.17 150.65 51.1 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.753 1.621 . . . . 0.0 110.873 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.2 t -134.25 132.88 55.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.715 1.606 . . . . 0.0 108.085 170.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.6 m -114.95 132.51 56.54 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.8 mmm -101.44 144.53 30.12 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.347 1.059 . . . . 0.0 110.407 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -64.45 -17.55 63.92 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -153.16 150.32 28.94 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.037 1.335 . . . . 0.0 111.946 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -57.48 -31.97 66.52 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.211 1.004 . . . . 0.0 112.669 177.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.39 -23.49 65.58 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.9 m -86.48 -35.01 19.88 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.467 -0.77 . . . . 0.0 111.686 174.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.74 -37.43 76.47 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.141 -0.974 . . . . 0.0 112.722 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -55.39 -44.18 75.86 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 124.11 0.964 . . . . 0.0 111.827 169.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -66.57 -36.35 82.44 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.65 0.659 . . . . 0.0 112.411 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.51 -35.49 73.23 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.2 p -76.74 -10.09 59.13 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -70.55 -25.73 63.23 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -176.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -110.69 103.31 54.22 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 124.838 1.255 . . . . 0.0 109.827 170.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.0 -15.82 12.87 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.028 2.485 . . . . 0.0 113.076 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -137.67 75.66 43.27 Favored Pre-proline 0 CA--C 1.551 1.006 0 C-N-CA 124.525 1.13 . . . . 0.0 112.438 -173.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -80.13 -13.38 12.65 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.128 3.219 . . . . 0.0 116.154 -173.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.1 mm 63.5 57.37 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 125.652 1.581 . . . . 0.0 111.269 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.3 mt -71.69 119.83 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.21 1.004 . . . . 0.0 110.019 -174.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.1 24.43 12.75 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.507 1.923 . . . . 0.0 113.997 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.53 30.69 7.93 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.55 1.071 . . . . 0.0 115.697 170.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -153.13 140.11 19.21 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.107 1.363 . . . . 0.0 109.013 174.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -64.45 103.36 0.65 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.321 0.581 . . . . 0.0 112.271 -176.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.67 162.17 28.47 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.94 0.896 . . . . 0.0 110.266 169.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -134.79 99.45 4.32 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.847 1.659 . . . . 0.0 107.482 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.9 t -103.88 128.59 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.939 1.696 . . . . 0.0 110.337 -169.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -166.27 160.28 15.79 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.844 1.258 . . . . 0.0 112.641 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.4 mt -53.21 149.09 7.48 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.541 0.737 . . . . 0.0 110.37 169.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.272 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -175.79 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.5 p -135.31 -24.49 1.4 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.687 1.195 . . . . 0.0 114.128 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -88.51 132.02 34.67 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.648 1.179 . . . . 0.0 110.995 175.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.9 mt -129.21 122.03 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.56 1.944 . . . . 0.0 109.15 -169.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -81.29 135.62 35.72 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.338 1.455 . . . . 0.0 108.14 168.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.8 t -137.12 94.48 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.948 0.899 . . . . 0.0 109.463 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.26 -175.74 26.36 Favored Glycine 0 N--CA 1.47 0.947 0 C-N-CA 123.185 0.422 . . . . 0.0 113.467 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.76 13.61 75.16 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.087 0.851 . . . . 0.0 114.024 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.22 147.78 85.8 Favored Pre-proline 0 C--O 1.24 0.58 0 C-N-CA 125.306 1.442 . . . . 0.0 110.67 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -59.13 148.53 85.23 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.677 2.251 . . . . 0.0 111.384 167.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -64.32 -11.42 32.03 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -97.61 -7.44 31.12 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 115.165 1.542 . . . . 0.0 115.165 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.3 m -64.03 136.31 57.19 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.389 1.076 . . . . 0.0 109.438 169.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.3 m -113.44 168.13 10.0 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.022 0.929 . . . . 0.0 112.016 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -59.01 -34.94 72.44 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.333 1.053 . . . . 0.0 112.905 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -65.51 -43.74 89.16 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.413 1.085 . . . . 0.0 111.722 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -62.35 -45.04 94.97 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.179 1.392 . . . . 0.0 110.74 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.29 -35.84 66.19 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.592 0.757 . . . . 0.0 112.696 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -59.03 -44.14 91.7 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.769 0.713 . . . . 0.0 110.804 170.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -70.01 -37.65 75.73 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.782 0.833 . . . . 0.0 112.093 -174.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -64.06 -33.37 75.6 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -83.53 -6.42 59.44 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -67.11 -16.89 64.61 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.758 1.163 . . . . 0.0 113.115 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -69.2 -15.93 63.5 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.045 0.938 . . . . 0.0 113.38 173.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -99.31 -13.84 19.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.675 1.19 . . . . 0.0 113.272 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.85 -162.44 24.96 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.17 1.367 . . . . 0.0 112.864 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -71.57 149.08 46.03 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.099 1.36 . . . . 0.0 112.211 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.9 mt -129.4 137.0 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.276 1.43 . . . . 0.0 109.935 -170.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.69 -50.74 10.16 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.175 0.99 . . . . 0.0 111.463 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -168.61 153.39 6.12 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.874 1.67 . . . . 0.0 109.458 -171.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.0 155.62 45.44 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.838 1.255 . . . . 0.0 110.527 169.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.7 m -149.06 157.74 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.84 1.656 . . . . 0.0 110.8 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.3 t -125.68 132.44 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 168.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.6 mm -80.42 104.66 9.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.841 0.829 . . . . 0.0 110.809 -169.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p . . . . . 0 N--CA 1.464 0.225 0 C-N-CA 126.687 1.995 . . . . 0.0 108.3 169.426 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -88.92 -4.39 58.47 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.46 11.99 76.56 Favored Glycine 0 N--CA 1.475 1.271 0 C-N-CA 124.016 0.817 . . . . 0.0 114.578 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -144.63 165.07 29.07 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.974 1.31 . . . . 0.0 113.813 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -149.41 -171.97 18.54 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 127.119 2.295 . . . . 0.0 112.514 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -134.69 150.98 50.68 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.745 1.618 . . . . 0.0 110.876 175.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.4 t -136.43 137.31 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.867 1.667 . . . . 0.0 108.427 174.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.8 m -121.59 125.32 46.45 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.619 0.767 . . . . 0.0 109.206 175.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 81.5 mmm -90.45 144.99 25.27 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.299 1.04 . . . . 0.0 111.443 -174.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -71.72 -16.93 62.24 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -144.82 149.87 36.17 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.861 1.264 . . . . 0.0 111.019 172.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -56.49 -36.67 69.39 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.253 1.021 . . . . 0.0 112.077 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.92 -17.79 62.07 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 m -80.16 -33.01 38.79 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.288 -0.882 . . . . 0.0 111.208 170.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.22 -36.53 74.61 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.003 -1.06 . . . . 0.0 111.922 170.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -62.76 -21.62 65.97 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -85.58 -39.96 16.78 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.177 0.991 . . . . 0.0 111.796 171.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.48 84.45 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 16.1 p -74.44 -9.67 58.82 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -68.94 -22.42 64.14 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -179.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -120.26 101.24 47.06 Favored Pre-proline 0 CA--C 1.544 0.75 0 C-N-CA 124.701 1.201 . . . . 0.0 109.829 172.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.43 -15.4 15.76 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.294 2.662 . . . . 0.0 112.783 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -137.48 71.76 51.85 Favored Pre-proline 0 CA--C 1.554 1.12 0 C-N-CA 125.165 1.386 . . . . 0.0 111.75 -176.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.36 -11.13 16.04 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 124.287 3.324 . . . . 0.0 116.253 -171.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.9 mm 64.46 54.54 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 125.738 1.615 . . . . 0.0 111.424 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.7 mt -70.54 127.02 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.46 1.104 . . . . 0.0 109.819 -177.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 59.09 20.46 8.37 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.813 1.645 . . . . 0.0 114.085 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.19 30.69 10.6 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.497 1.046 . . . . 0.0 114.605 174.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -149.52 140.94 23.29 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.603 1.161 . . . . 0.0 109.902 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.12 102.66 0.31 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.622 0.725 . . . . 0.0 112.227 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.81 168.06 20.27 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.733 1.213 . . . . 0.0 110.723 172.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -136.7 103.69 5.29 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.824 1.65 . . . . 0.0 108.475 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 90.2 t -108.09 128.2 63.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.511 1.524 . . . . 0.0 110.369 -169.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -163.88 156.72 17.92 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.809 1.244 . . . . 0.0 112.613 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.7 mt -53.83 138.98 34.7 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.573 0.749 . . . . 0.0 110.137 169.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.337 0 N-CA-C 116.267 1.951 . . . . 0.0 116.267 -176.206 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.7 p -143.34 -19.21 0.62 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -174.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -93.32 128.87 39.52 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.809 1.244 . . . . 0.0 110.423 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.1 mt -126.83 119.12 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.44 1.496 . . . . 0.0 109.587 -168.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -79.43 138.63 37.68 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.521 1.128 . . . . 0.0 108.21 168.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.5 t -137.01 89.62 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.117 0.967 . . . . 0.0 109.502 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.404 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -92.74 -179.05 40.65 Favored Glycine 0 N--CA 1.467 0.735 0 C-N-CA 123.122 0.391 . . . . 0.0 113.09 172.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.04 24.03 75.94 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 123.969 0.795 . . . . 0.0 113.711 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.94 143.19 73.88 Favored Pre-proline 0 C--O 1.241 0.63 0 C-N-CA 124.381 1.072 . . . . 0.0 109.402 171.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.78 142.11 62.09 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.595 1.53 . . . . 0.0 108.624 169.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -60.29 -12.76 9.86 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 -168.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -91.53 0.06 57.55 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.663 1.585 . . . . 0.0 114.896 175.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.3 m -66.57 135.05 53.58 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.084 1.354 . . . . 0.0 109.566 173.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.5 m -110.12 168.94 9.06 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.18 0.992 . . . . 0.0 111.847 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -58.58 -33.61 70.16 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.099 -1.001 . . . . 0.0 112.967 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -70.21 -41.51 73.55 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.307 0.643 . . . . 0.0 111.787 172.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 m -57.95 -44.19 86.83 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.236 1.415 . . . . 0.0 110.666 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.62 -37.03 65.53 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -60.09 -41.89 93.45 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.688 -0.632 . . . . 0.0 111.169 172.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -66.33 -38.78 88.45 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.922 0.889 . . . . 0.0 112.122 -176.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -67.02 -31.25 71.67 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -86.63 -6.21 58.92 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -67.15 -17.86 65.03 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.646 1.112 . . . . 0.0 113.284 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -72.01 -19.12 61.91 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.281 1.032 . . . . 0.0 113.004 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -93.56 -16.49 24.36 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.612 1.165 . . . . 0.0 113.46 -175.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.21 -146.34 18.31 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 124.586 1.089 . . . . 0.0 113.262 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -86.57 125.92 34.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.26 1.024 . . . . 0.0 112.061 -171.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.9 mt -100.16 130.93 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.793 1.237 . . . . 0.0 109.472 -177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -87.01 -44.09 11.85 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.692 1.597 . . . . 0.0 110.494 177.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -164.41 153.22 13.09 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.451 1.901 . . . . 0.0 109.622 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.73 144.73 28.49 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.861 1.264 . . . . 0.0 110.687 174.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 m -151.29 156.67 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 125.511 1.524 . . . . 0.0 111.487 -173.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.7 t -124.88 136.59 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.392 1.477 . . . . 0.0 107.525 169.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.6 mm -82.99 98.7 5.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-O 121.845 0.831 . . . . 0.0 111.335 -168.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.475 0.806 0 C-N-CA 127.276 2.23 . . . . 0.0 110.286 179.575 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -77.18 -9.74 58.96 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.25 3.26 79.08 Favored Glycine 0 N--CA 1.474 1.188 0 C-N-CA 124.81 1.195 . . . . 0.0 114.175 -174.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.404 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 33.0 p90 -138.82 162.67 34.19 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.41 -171.89 14.66 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 127.812 2.625 . . . . 0.0 112.054 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -136.49 151.61 49.63 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.694 1.598 . . . . 0.0 110.999 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -136.7 134.96 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.617 1.567 . . . . 0.0 108.318 172.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 83.5 m -116.69 131.28 56.99 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 173.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 89.4 mmm -99.9 146.26 26.86 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.564 1.146 . . . . 0.0 110.274 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -68.21 -17.52 64.34 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -152.65 150.79 29.85 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.614 1.166 . . . . 0.0 112.601 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -58.47 -30.53 67.04 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.996 1.319 . . . . 0.0 112.933 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.96 -25.65 61.09 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 176.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.7 m -81.32 -35.85 30.47 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.439 -0.788 . . . . 0.0 110.967 169.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.85 -37.94 85.42 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.74 -42.29 99.6 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.005 0.82 . . . . 0.0 111.483 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -64.86 -33.95 77.23 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.932 0.893 . . . . 0.0 112.004 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.42 -37.27 68.67 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.712 0.805 . . . . 0.0 113.046 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.32 -6.35 59.38 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -63.83 -17.09 62.78 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.489 1.516 . . . . 0.0 114.684 -174.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -131.22 113.9 15.97 Favored Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 126.259 1.823 . . . . 0.0 109.099 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.92 -16.52 12.63 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.95 2.434 . . . . 0.0 113.447 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -132.59 70.1 79.48 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 124.923 1.289 . . . . 0.0 112.154 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.83 -11.71 16.63 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.973 3.115 . . . . 0.0 116.546 -173.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mm 65.43 60.74 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 125.97 1.708 . . . . 0.0 111.281 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.4 mt -72.75 118.32 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.122 -0.986 . . . . 0.0 110.021 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 t70 60.45 18.37 8.13 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.867 2.067 . . . . 0.0 114.67 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.11 32.47 4.96 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.745 1.164 . . . . 0.0 115.833 172.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.25 141.32 21.27 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.67 1.235 . . . . 0.0 109.513 172.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -62.56 110.89 1.84 Allowed 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.602 -0.686 . . . . 0.0 111.116 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -84.55 173.21 10.99 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.661 1.584 . . . . 0.0 111.301 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -143.81 97.73 3.11 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.887 1.675 . . . . 0.0 108.95 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 87.7 t -108.75 129.33 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.141 1.376 . . . . 0.0 110.269 -169.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -159.12 160.53 35.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.091 0.957 . . . . 0.0 113.453 170.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.7 mt -65.23 115.51 5.62 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 169.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.157 0 C-N-CA 127.734 2.414 . . . . 0.0 117.158 -169.364 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 . . . . . 0 CA--C 1.541 0.634 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.4 p -130.58 -22.12 2.74 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.748 1.219 . . . . 0.0 113.633 -174.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -86.43 126.05 34.12 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.361 1.064 . . . . 0.0 109.982 169.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.6 mt -125.73 119.64 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 126.01 1.724 . . . . 0.0 108.801 -169.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -80.64 139.57 36.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.491 1.516 . . . . 0.0 108.949 169.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.92 97.8 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.992 0.917 . . . . 0.0 109.375 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -107.71 -176.98 22.41 Favored Glycine 0 N--CA 1.471 0.975 0 C-N-CA 123.152 0.406 . . . . 0.0 113.26 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.94 16.4 74.69 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.168 0.89 . . . . 0.0 113.799 -174.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.6 mt -71.16 145.64 91.41 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 125.133 1.373 . . . . 0.0 109.744 174.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -71.28 149.42 57.25 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.001 1.8 . . . . 0.0 109.412 169.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -64.18 -9.41 16.72 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -170.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -92.68 -5.73 50.76 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -65.12 139.22 58.67 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.827 1.251 . . . . 0.0 109.957 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -113.58 168.79 9.47 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.63 1.172 . . . . 0.0 112.23 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -58.32 -32.68 68.7 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.966 0.906 . . . . 0.0 112.157 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -72.0 -45.07 62.28 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.462 1.105 . . . . 0.0 111.279 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.5 m -54.58 -45.3 73.54 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.856 1.262 . . . . 0.0 110.888 176.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 tp -74.92 -38.24 61.85 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -59.77 -43.02 94.53 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.773 0.715 . . . . 0.0 111.084 172.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -69.19 -37.23 78.02 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.252 1.021 . . . . 0.0 111.663 -174.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -66.59 -31.53 72.29 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.415 -0.803 . . . . 0.0 113.022 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -84.23 -8.43 59.05 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.21 -16.41 64.28 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.673 1.124 . . . . 0.0 113.193 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -72.95 -15.56 61.56 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.243 1.017 . . . . 0.0 113.229 175.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -98.34 -16.18 19.44 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.509 1.124 . . . . 0.0 113.28 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.33 -145.04 16.39 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 124.416 1.008 . . . . 0.0 113.493 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -92.52 132.47 36.8 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.469 1.107 . . . . 0.0 112.271 -169.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.9 mt -111.47 126.56 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.831 1.253 . . . . 0.0 109.893 -172.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -82.88 -44.76 15.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.028 1.731 . . . . 0.0 110.612 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -166.1 152.07 8.98 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.635 1.974 . . . . 0.0 109.211 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.16 147.3 29.3 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.79 1.236 . . . . 0.0 110.983 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.1 m -150.82 157.85 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.664 1.586 . . . . 0.0 111.422 -174.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.0 t -127.61 137.45 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.399 1.479 . . . . 0.0 107.299 168.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.0 mm -83.89 95.34 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 C-N-CA 124.268 1.027 . . . . 0.0 108.983 -169.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.476 0.85 0 C-N-CA 129.367 3.067 . . . . 0.0 108.53 -179.807 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -88.83 -0.14 57.08 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.232 1.413 . . . . 0.0 113.157 169.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.39 8.19 68.58 Favored Glycine 0 N--CA 1.475 1.242 0 C-N-CA 124.998 1.285 . . . . 0.0 114.911 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -147.98 168.96 20.94 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.943 1.297 . . . . 0.0 114.122 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.27 -173.02 22.09 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 127.888 2.661 . . . . 0.0 112.326 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -138.26 150.58 46.81 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.741 1.616 . . . . 0.0 111.236 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.1 t -136.6 133.74 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.818 1.647 . . . . 0.0 108.3 172.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.5 m -114.91 128.64 56.41 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.046 0.938 . . . . 0.0 108.524 174.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 80.1 mmm -96.35 145.09 25.92 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.288 1.035 . . . . 0.0 110.74 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -69.81 -17.01 63.38 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -152.39 150.36 29.6 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.972 1.309 . . . . 0.0 111.068 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -58.91 -29.19 66.89 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.805 1.242 . . . . 0.0 112.768 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.1 -27.11 69.16 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.347 1.059 . . . . 0.0 113.578 173.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -85.66 -32.02 22.21 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.49 0.716 . . . . 0.0 111.754 175.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.91 -37.92 67.07 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 120.985 -1.072 . . . . 0.0 112.869 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -60.87 -33.97 73.9 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.967 0.907 . . . . 0.0 111.793 171.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -73.55 -33.12 64.54 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.719 0.808 . . . . 0.0 112.734 172.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.46 68.01 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.6 p -73.94 -7.0 50.73 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -65.92 -22.64 66.51 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -122.07 90.24 48.76 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 126.068 1.747 . . . . 0.0 110.15 175.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -66.26 -34.04 37.22 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.573 2.849 . . . . 0.0 112.748 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -122.11 79.0 43.03 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.506 1.123 . . . . 0.0 111.822 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -80.73 -15.54 10.76 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.997 3.131 . . . . 0.0 115.687 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mm 63.79 55.15 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.715 1.606 . . . . 0.0 111.024 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.8 mt -69.79 117.99 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 O-C-N 121.098 -1.002 . . . . 0.0 109.775 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.71 22.27 9.8 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.536 1.935 . . . . 0.0 114.47 176.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.28 35.43 5.0 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.627 1.108 . . . . 0.0 115.576 170.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.2 ttt85 -151.72 141.2 21.6 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.765 1.282 . . . . 0.0 110.394 169.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -64.64 102.79 0.6 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.727 0.775 . . . . 0.0 111.85 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.6 164.95 20.47 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.948 1.299 . . . . 0.0 111.54 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -130.11 103.88 7.0 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.662 1.985 . . . . 0.0 108.893 175.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.0 t -97.92 126.17 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.198 1.799 . . . . 0.0 109.06 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -163.25 159.67 23.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.186 0.994 . . . . 0.0 112.702 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.9 mt -53.8 148.53 9.98 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.604 0.762 . . . . 0.0 110.61 170.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.287 0 C-N-CA 125.79 1.636 . . . . 0.0 115.414 -178.275 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.5 p -124.9 -18.91 5.39 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -85.89 125.33 33.25 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.869 1.268 . . . . 0.0 110.562 170.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.6 mt -126.52 119.32 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 126.28 1.832 . . . . 0.0 108.867 -170.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -82.71 135.88 34.89 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.135 1.374 . . . . 0.0 108.324 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -136.11 90.54 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.722 0.809 . . . . 0.0 109.68 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.435 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -98.37 -171.02 32.01 Favored Glycine 0 N--CA 1.468 0.792 0 C-N-CA 123.122 0.391 . . . . 0.0 113.308 175.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.14 7.51 82.07 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 123.839 0.733 . . . . 0.0 114.872 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.41 149.64 97.19 Favored Pre-proline 0 C--O 1.242 0.677 0 C-N-CA 125.544 1.538 . . . . 0.0 111.328 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.51 143.23 34.17 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.383 2.055 . . . . 0.0 108.659 168.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.06 -9.63 11.14 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -171.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -90.77 1.23 57.07 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.33 1.452 . . . . 0.0 114.804 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.0 m -69.61 134.08 48.35 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.936 1.294 . . . . 0.0 109.651 173.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.7 m -110.76 170.09 8.33 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.272 1.029 . . . . 0.0 112.075 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -56.97 -41.26 78.03 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.327 1.051 . . . . 0.0 112.161 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -71.39 -34.72 70.64 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.706 0.803 . . . . 0.0 112.313 175.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -58.54 -41.22 85.06 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.753 1.221 . . . . 0.0 110.803 176.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.2 tp -72.97 -40.15 65.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.61 0.764 . . . . 0.0 112.305 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -59.69 -38.14 80.74 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.692 -0.63 . . . . 0.0 111.862 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.4 -15.21 61.84 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.953 1.301 . . . . 0.0 113.374 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -90.98 -41.24 11.22 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.237 0.926 . . . . 0.0 112.529 170.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -77.72 -14.68 59.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -174.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -7.83 46.8 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -76.92 -17.39 58.95 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.824 0.85 . . . . 0.0 113.037 171.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -95.61 -11.88 26.53 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.584 1.154 . . . . 0.0 113.386 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.84 -149.07 20.24 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 125.003 1.287 . . . . 0.0 112.755 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -87.3 120.75 28.91 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.907 0.883 . . . . 0.0 112.277 -170.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -89.44 131.17 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.534 1.134 . . . . 0.0 109.608 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -85.26 -43.59 13.62 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.685 1.594 . . . . 0.0 110.078 172.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -161.39 147.62 14.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.59 1.956 . . . . 0.0 109.315 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.13 132.79 19.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.559 1.144 . . . . 0.0 110.221 174.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.8 m -151.19 157.51 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.045 1.338 . . . . 0.0 111.936 -170.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.4 t -115.85 137.16 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.148 1.779 . . . . 0.0 108.229 172.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.4 mm -74.91 104.98 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.489 0.662 . . . . 0.0 109.855 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.466 0.325 0 C-N-CA 127.059 2.143 . . . . 0.0 108.941 177.525 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 N--CA 1.471 0.597 0 CA-C-O 120.929 0.395 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -90.64 2.23 56.08 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.68 9.39 66.47 Favored Glycine 0 N--CA 1.474 1.207 0 C-N-CA 124.567 1.08 . . . . 0.0 114.52 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.435 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 21.4 p90 -149.56 162.25 40.55 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.408 1.483 . . . . 0.0 113.982 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.05 -174.21 18.92 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 127.432 2.444 . . . . 0.0 112.521 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -133.92 146.98 51.02 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.909 1.684 . . . . 0.0 111.043 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.88 133.7 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 125.66 1.584 . . . . 0.0 108.182 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.8 m -118.59 130.51 55.93 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 172.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.5 mmm -99.92 148.15 24.79 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.279 1.032 . . . . 0.0 110.798 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -68.18 -18.34 64.57 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -154.06 150.17 27.93 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.933 1.293 . . . . 0.0 111.93 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -55.92 -32.42 63.76 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.471 1.509 . . . . 0.0 112.631 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.58 -21.93 63.57 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.8 m -86.58 -30.73 21.63 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.895 -1.128 . . . . 0.0 112.038 172.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.98 -35.77 56.95 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -64.61 -36.62 84.85 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.06 0.845 . . . . 0.0 111.691 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -67.36 -24.78 65.74 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.457 1.103 . . . . 0.0 113.142 172.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.74 -32.0 28.12 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.954 0.902 . . . . 0.0 113.33 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.1 p -78.79 -3.5 44.72 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -61.98 -26.89 68.48 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -177.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -129.56 111.28 17.68 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 125.628 1.571 . . . . 0.0 109.961 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.66 -15.92 15.09 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.918 2.412 . . . . 0.0 113.145 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -130.29 73.01 81.69 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.761 1.225 . . . . 0.0 112.415 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.59 -13.46 14.77 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.125 3.216 . . . . 0.0 116.094 -174.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 64.53 58.54 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 125.902 1.681 . . . . 0.0 111.268 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.2 mt -71.69 119.32 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 121.134 -0.979 . . . . 0.0 109.853 -175.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.4 t0 58.22 25.42 12.59 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.616 1.966 . . . . 0.0 114.047 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.14 32.97 7.14 Favored Glycine 0 CA--C 1.534 1.24 0 N-CA-C 115.583 0.993 . . . . 0.0 115.583 171.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -151.71 143.3 23.57 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 118.553 1.177 . . . . 0.0 109.597 170.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -61.79 103.46 0.35 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.45 0.643 . . . . 0.0 111.921 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.59 164.18 25.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.05 1.34 . . . . 0.0 110.778 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -132.06 98.59 4.47 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.364 1.866 . . . . 0.0 108.446 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.4 t -101.0 127.92 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.561 1.544 . . . . 0.0 109.824 -174.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -163.81 157.49 18.96 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.453 1.101 . . . . 0.0 112.585 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.06 147.44 29.57 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.6 -0.687 . . . . 0.0 109.781 169.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 1.421 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -179.616 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.3 p -139.78 -26.95 0.78 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -174.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -85.22 140.21 31.06 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.749 1.22 . . . . 0.0 110.782 170.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.6 mt -141.22 119.15 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.193 1.397 . . . . 0.0 110.035 -168.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.68 138.19 37.29 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.783 1.633 . . . . 0.0 107.967 167.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.6 t -138.11 92.89 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 123.933 0.893 . . . . 0.0 108.967 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.26 -176.8 27.63 Favored Glycine 0 N--CA 1.47 0.94 0 C-N-CA 123.201 0.429 . . . . 0.0 113.141 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.55 19.02 76.04 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 123.617 0.627 . . . . 0.0 113.284 -174.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.6 mt -73.06 144.52 85.08 Favored Pre-proline 0 C--O 1.241 0.635 0 C-N-CA 124.683 1.193 . . . . 0.0 109.447 173.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.94 145.5 56.27 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 121.794 1.663 . . . . 0.0 108.767 169.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -62.5 -11.58 17.1 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -170.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -93.76 -5.34 48.55 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.505 1.522 . . . . 0.0 115.049 176.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.4 m -67.61 131.89 46.49 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.403 1.081 . . . . 0.0 108.83 169.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.1 m -110.34 171.37 7.5 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.264 1.025 . . . . 0.0 112.361 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.29 -40.3 70.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.204 1.401 . . . . 0.0 112.033 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -69.76 -40.72 75.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.749 1.22 . . . . 0.0 112.493 174.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -57.64 -43.08 84.61 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.086 1.354 . . . . 0.0 110.632 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.5 tp -72.66 -38.28 67.68 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.734 0.814 . . . . 0.0 112.628 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -61.28 -38.64 87.48 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.559 -0.713 . . . . 0.0 111.627 172.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -76.26 -11.45 59.91 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.58 1.152 . . . . 0.0 113.109 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -89.97 -43.54 10.49 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.932 0.787 . . . . 0.0 112.171 169.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -77.83 -13.28 59.94 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -174.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -7.49 44.07 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -74.61 -18.84 60.5 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.676 0.79 . . . . 0.0 112.732 169.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -94.94 -13.11 25.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.815 1.246 . . . . 0.0 113.195 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 139.0 -145.54 16.86 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 124.854 1.216 . . . . 0.0 112.793 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -92.17 131.58 37.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.302 1.041 . . . . 0.0 112.436 -170.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.2 mt -106.05 132.86 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.273 1.429 . . . . 0.0 110.09 -176.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.45 -47.58 17.19 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.907 1.283 . . . . 0.0 110.793 169.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -165.31 149.27 8.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.663 1.985 . . . . 0.0 109.373 -175.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.27 141.37 28.54 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.017 1.327 . . . . 0.0 110.453 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.9 m -149.6 159.12 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.341 1.456 . . . . 0.0 111.764 -172.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.2 t -122.01 137.39 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.13 1.772 . . . . 0.0 108.54 169.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.8 mm -81.9 96.15 3.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 122.32 1.057 . . . . 0.0 110.75 -174.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.2 p . . . . . 0 CA--C 1.516 -0.328 0 C-N-CA 126.941 2.097 . . . . 0.0 107.28 168.393 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -90.26 -4.42 57.18 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 173.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.69 15.13 78.57 Favored Glycine 0 N--CA 1.475 1.28 0 CA-C-N 119.405 1.002 . . . . 0.0 114.418 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -143.65 163.25 33.76 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.16 1.384 . . . . 0.0 113.503 173.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.31 -172.56 16.75 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 126.713 2.102 . . . . 0.0 112.807 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -133.32 149.34 51.91 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 125.773 1.629 . . . . 0.0 111.126 175.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.3 t -136.88 136.8 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 126.028 1.731 . . . . 0.0 107.943 173.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -123.88 132.4 53.74 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.949 0.9 . . . . 0.0 108.584 175.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 78.9 mmm -101.19 149.66 23.76 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.661 1.184 . . . . 0.0 111.206 -173.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -67.21 -21.86 65.74 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -154.54 152.48 30.11 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.84 1.256 . . . . 0.0 111.952 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -56.78 -30.21 63.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.762 1.225 . . . . 0.0 112.782 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.8 -20.12 63.46 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.8 m -88.67 -35.16 16.94 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.909 -1.119 . . . . 0.0 111.465 169.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.5 -34.67 74.65 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -63.1 -40.47 97.74 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.039 0.836 . . . . 0.0 111.776 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -67.21 -31.49 71.91 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.524 1.129 . . . . 0.0 111.905 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.0 65.35 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.841 0.856 . . . . 0.0 112.897 174.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.6 p -85.36 -4.17 59.07 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -58.41 -26.17 62.96 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.113 1.765 . . . . 0.0 114.258 -172.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -137.27 129.65 16.89 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 126.109 1.764 . . . . 0.0 109.58 169.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.79 -14.47 13.93 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.993 2.462 . . . . 0.0 114.09 -173.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -128.52 78.03 76.41 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 124.692 1.197 . . . . 0.0 112.31 -173.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -78.94 -15.38 13.2 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.066 3.177 . . . . 0.0 115.648 -175.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.1 mm 67.25 60.44 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 126.042 1.737 . . . . 0.0 111.402 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.8 mt -72.95 119.59 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.282 1.033 . . . . 0.0 110.529 -174.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 t70 61.57 18.22 9.29 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.87 2.068 . . . . 0.0 114.301 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.78 30.88 6.25 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.873 1.225 . . . . 0.0 115.413 174.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -152.19 141.07 21.07 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.346 1.458 . . . . 0.0 109.914 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -62.79 104.14 0.51 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.228 0.611 . . . . 0.0 112.323 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.21 165.45 20.45 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.59 1.156 . . . . 0.0 110.804 171.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -137.17 100.27 4.22 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.495 1.518 . . . . 0.0 109.148 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.0 t -93.68 129.6 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.936 1.294 . . . . 0.0 110.287 -171.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -144.83 143.08 30.44 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.098 1.359 . . . . 0.0 110.958 -173.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.16 32.52 0.08 Allowed 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.297 1.839 . . . . 0.0 114.48 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.237 0 C-N-CA 127.323 2.249 . . . . 0.0 110.954 -170.851 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.0 p -102.66 -11.95 18.05 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.557 1.543 . . . . 0.0 113.459 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -93.9 127.34 39.61 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.65 0.78 . . . . 0.0 112.089 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.7 mt -128.31 122.54 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.312 1.445 . . . . 0.0 110.033 -168.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -85.34 139.08 31.86 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.478 1.511 . . . . 0.0 108.747 169.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -136.48 87.27 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.306 1.042 . . . . 0.0 109.592 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -93.27 -176.88 40.49 Favored Glycine 0 N--CA 1.468 0.828 0 C-N-CA 123.665 0.65 . . . . 0.0 113.38 174.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.84 14.05 75.55 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.661 1.124 . . . . 0.0 114.443 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.43 148.09 93.11 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 125.16 1.384 . . . . 0.0 110.376 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -72.35 144.53 41.31 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 122.145 1.896 . . . . 0.0 108.859 168.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -61.55 -13.75 24.09 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -169.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -85.51 -4.88 59.29 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.1 m -66.75 135.43 53.97 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.899 1.28 . . . . 0.0 109.59 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.9 m -113.47 169.18 9.15 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.18 0.992 . . . . 0.0 112.187 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -55.6 -37.59 68.32 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.657 1.183 . . . . 0.0 112.736 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -65.98 -45.42 81.73 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.072 0.949 . . . . 0.0 111.748 172.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.9 m -57.42 -43.74 84.08 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.437 1.495 . . . . 0.0 111.068 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.6 tp -74.54 -38.13 62.83 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -59.67 -40.46 87.89 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.529 0.604 . . . . 0.0 111.267 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.85 -14.79 61.58 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.631 1.173 . . . . 0.0 113.318 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -88.98 -42.36 11.83 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.175 0.898 . . . . 0.0 112.063 169.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -79.72 -15.89 56.68 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -6.32 34.91 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -75.84 -17.11 59.94 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.427 -0.795 . . . . 0.0 112.331 169.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -104.96 -20.3 13.58 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.373 1.469 . . . . 0.0 113.127 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.65 -166.27 34.53 Favored Glycine 0 C--N 1.34 0.77 0 N-CA-C 117.732 1.853 . . . . 0.0 117.732 -169.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -96.11 -24.65 16.2 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 117.713 2.486 . . . . 0.0 117.713 -167.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.0 mt 58.37 117.23 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 C-N-CA 129.337 3.055 . . . . 0.0 115.883 175.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -72.25 -45.03 61.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.326 1.45 . . . . 0.0 111.437 168.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -163.1 144.56 9.78 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.841 2.056 . . . . 0.0 108.696 -175.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.24 140.35 32.24 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.008 1.323 . . . . 0.0 110.008 172.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.1 m -153.36 159.86 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.191 1.396 . . . . 0.0 112.015 -170.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.7 t -128.1 132.18 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.476 1.51 . . . . 0.0 107.425 168.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.5 mm -81.76 114.05 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 124.063 0.945 . . . . 0.0 111.859 -168.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.2 p . . . . . 0 N--CA 1.469 0.486 0 C-N-CA 126.659 1.984 . . . . 0.0 109.422 173.511 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -85.45 -2.2 57.86 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 172.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.16 11.72 83.23 Favored Glycine 0 N--CA 1.471 1.002 0 CA-C-N 119.031 0.832 . . . . 0.0 113.971 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -138.62 158.32 44.46 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.657 1.183 . . . . 0.0 114.06 174.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.4 -172.9 13.97 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 127.315 2.388 . . . . 0.0 112.207 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -135.8 151.93 50.57 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.446 1.498 . . . . 0.0 110.689 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.6 t -137.78 131.29 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 125.487 1.515 . . . . 0.0 107.983 169.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.6 m -115.12 129.42 56.67 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 78.2 mmm -96.3 149.63 21.46 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.508 1.123 . . . . 0.0 111.198 -175.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -70.67 -24.48 62.69 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.25 157.12 43.79 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.928 0.891 . . . . 0.0 113.247 174.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -60.15 -27.15 66.85 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.346 -0.846 . . . . 0.0 112.564 174.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.12 -19.92 64.04 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 174.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.41 -31.66 14.54 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.079 -1.013 . . . . 0.0 112.074 169.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.41 86.87 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.198 -0.938 . . . . 0.0 113.242 173.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.55 -37.62 88.19 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.51 0.595 . . . . 0.0 111.873 174.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -68.22 -34.01 75.46 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.69 1.196 . . . . 0.0 112.388 173.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.83 -29.85 61.19 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.8 p -83.13 -2.57 55.79 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -62.46 -25.5 68.02 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -175.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -126.92 110.64 22.03 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.307 1.443 . . . . 0.0 109.882 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -78.11 -15.79 14.39 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.01 2.473 . . . . 0.0 113.079 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -134.1 71.37 73.23 Favored Pre-proline 0 CA--C 1.554 1.127 0 C-N-CA 125.243 1.417 . . . . 0.0 111.911 -176.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -77.21 -12.47 17.35 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 124.276 3.317 . . . . 0.0 116.31 -172.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mm 64.24 56.33 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 125.907 1.683 . . . . 0.0 111.291 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.5 118.17 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 121.096 -1.003 . . . . 0.0 110.044 -174.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.01 20.87 9.97 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.611 1.964 . . . . 0.0 114.454 176.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.85 35.14 4.95 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.746 1.165 . . . . 0.0 115.415 171.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.2 ttt85 -152.82 142.88 22.3 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.522 1.161 . . . . 0.0 109.893 170.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.51 103.59 0.43 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.474 0.654 . . . . 0.0 111.607 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.69 166.45 22.97 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.196 0.999 . . . . 0.0 110.607 172.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -132.84 108.86 9.23 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.651 1.58 . . . . 0.0 108.535 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.3 t -109.94 122.4 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.906 1.282 . . . . 0.0 109.901 -173.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -163.03 168.27 21.24 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.52 1.528 . . . . 0.0 111.727 173.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.68 155.4 15.85 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.436 -0.79 . . . . 0.0 111.519 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.293 0 C-N-CA 125.613 1.565 . . . . 0.0 114.983 179.673 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.6 p -133.48 -28.18 1.48 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.08 1.352 . . . . 0.0 113.331 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -82.73 148.16 28.03 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.326 1.45 . . . . 0.0 111.731 173.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.3 mt -147.76 124.08 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.859 1.664 . . . . 0.0 109.772 -169.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -86.01 140.63 30.12 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.247 1.419 . . . . 0.0 108.423 167.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.04 88.61 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.215 1.006 . . . . 0.0 109.493 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.41 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -94.56 -177.05 38.58 Favored Glycine 0 N--CA 1.468 0.813 0 C-N-CA 123.711 0.672 . . . . 0.0 113.431 173.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.77 16.21 72.02 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 123.938 0.78 . . . . 0.0 113.493 -176.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.97 142.23 85.09 Favored Pre-proline 0 C--O 1.24 0.557 0 C-N-CA 124.355 1.062 . . . . 0.0 109.501 175.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.65 141.24 54.2 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 121.791 1.661 . . . . 0.0 108.802 169.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -59.41 -15.19 15.37 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -169.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -88.23 -1.1 57.82 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.468 1.507 . . . . 0.0 114.987 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.0 m -66.29 127.33 31.81 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.796 1.238 . . . . 0.0 109.379 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.6 p -94.53 166.67 11.93 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.99 0.9 . . . . 0.0 112.673 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -56.81 -36.85 70.41 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.465 1.106 . . . . 0.0 111.455 173.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -72.75 -40.16 66.26 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.086 0.954 . . . . 0.0 112.54 173.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.2 m -57.23 -41.31 79.28 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 119.364 0.984 . . . . 0.0 110.62 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.4 tp -73.33 -40.18 64.67 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -59.85 -39.05 83.89 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.383 -0.823 . . . . 0.0 111.765 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.79 -10.48 59.4 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.224 1.409 . . . . 0.0 112.783 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -92.46 -44.7 8.52 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.802 0.728 . . . . 0.0 112.072 169.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -75.72 -13.48 60.31 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -174.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -7.4 38.08 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -73.95 -19.72 60.59 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.695 0.798 . . . . 0.0 112.937 170.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -93.71 -15.61 25.07 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.632 1.173 . . . . 0.0 113.014 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.6 -153.75 24.3 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.499 1.523 . . . . 0.0 112.687 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -86.32 137.78 32.33 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.338 1.055 . . . . 0.0 112.339 -171.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.3 mt -110.25 129.07 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.17 1.388 . . . . 0.0 110.58 -173.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -73.86 -46.89 42.02 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.853 1.261 . . . . 0.0 111.064 169.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -163.51 146.3 10.0 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.62 1.968 . . . . 0.0 109.146 -175.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.72 136.43 23.12 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.094 1.358 . . . . 0.0 109.881 173.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 m -150.8 157.63 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.085 1.354 . . . . 0.0 111.847 -169.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.2 t -121.5 133.1 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.95 1.7 . . . . 0.0 108.265 170.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.6 mm -77.82 110.5 13.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 123.324 0.65 . . . . 0.0 110.601 -172.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.6 p . . . . . 0 N--CA 1.465 0.303 0 C-N-CA 126.253 1.821 . . . . 0.0 109.094 170.378 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -83.05 -6.95 59.69 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.92 5.4 77.45 Favored Glycine 0 N--CA 1.476 1.325 0 C-N-CA 124.722 1.153 . . . . 0.0 114.295 -177.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.41 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 43.4 p90 -143.03 161.78 37.22 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.932 1.293 . . . . 0.0 114.045 177.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.4 -174.05 16.32 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 127.092 2.282 . . . . 0.0 112.364 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -136.42 151.21 49.27 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.794 1.637 . . . . 0.0 111.08 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.3 t -139.18 141.73 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 126.17 1.788 . . . . 0.0 108.267 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.2 m -131.82 132.75 44.0 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.172 0.989 . . . . 0.0 108.895 174.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 80.5 mmm -102.47 145.4 29.62 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.701 1.2 . . . . 0.0 111.423 -172.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -67.98 -23.9 65.08 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -175.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -141.22 146.33 36.75 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.703 1.601 . . . . 0.0 110.929 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -54.9 -43.11 72.94 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.475 1.11 . . . . 0.0 112.472 -174.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.7 -14.07 62.78 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -82.78 -34.56 27.02 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.284 -0.885 . . . . 0.0 111.511 170.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.93 -33.76 66.14 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.171 -0.955 . . . . 0.0 112.277 171.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.13 -39.59 86.82 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.262 0.625 . . . . 0.0 111.847 171.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -68.07 -38.57 82.57 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.691 0.796 . . . . 0.0 112.251 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.81 -39.86 72.82 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.6 p -75.11 -11.05 60.0 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -64.05 -26.91 68.77 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.379 1.472 . . . . 0.0 113.763 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -114.06 109.68 49.3 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.513 1.525 . . . . 0.0 109.521 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.08 -16.09 15.98 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.929 2.419 . . . . 0.0 113.151 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -139.64 77.37 28.15 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 125.025 1.33 . . . . 0.0 111.714 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.24 -11.8 14.52 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 124.181 3.254 . . . . 0.0 116.154 -171.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.3 mm 65.18 54.85 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 125.448 1.499 . . . . 0.0 111.651 176.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.9 mt -69.25 121.13 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.543 1.137 . . . . 0.0 110.397 -174.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.96 19.51 9.9 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.902 2.081 . . . . 0.0 114.192 -178.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.7 25.78 14.58 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.469 1.033 . . . . 0.0 114.928 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -144.7 136.43 25.7 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.488 1.515 . . . . 0.0 109.78 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.75 102.58 0.6 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -173.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.53 168.14 19.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.947 1.299 . . . . 0.0 110.821 169.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -138.63 109.26 6.6 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.731 1.613 . . . . 0.0 108.882 -174.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 81.9 t -108.68 133.91 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.167 1.387 . . . . 0.0 110.804 -169.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -158.02 166.73 31.81 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.844 1.258 . . . . 0.0 112.529 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.0 mt -74.99 18.15 0.19 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.99 1.716 . . . . 0.0 115.488 -174.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.276 0 C-N-CA 127.23 2.212 . . . . 0.0 112.86 -177.359 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 CA--C 1.544 0.73 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.0 p -132.43 -24.22 2.05 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.396 1.478 . . . . 0.0 113.74 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -88.54 128.31 35.56 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.742 1.617 . . . . 0.0 110.592 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.0 mt -127.92 119.41 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.972 1.709 . . . . 0.0 109.494 -168.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -81.8 134.12 35.4 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.1 1.36 . . . . 0.0 108.176 169.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.31 92.06 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.767 0.827 . . . . 0.0 109.55 -176.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.4 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -100.36 -173.93 29.88 Favored Glycine 0 N--CA 1.466 0.673 0 C-N-CA 123.87 0.748 . . . . 0.0 113.778 177.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.03 15.56 67.45 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.345 0.974 . . . . 0.0 113.905 -175.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -72.22 146.51 89.65 Favored Pre-proline 0 C--O 1.24 0.577 0 C-N-CA 124.479 1.112 . . . . 0.0 110.27 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.06 145.59 44.96 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.115 1.877 . . . . 0.0 108.642 168.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -63.59 -10.03 16.43 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -171.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -95.08 -4.01 47.1 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.598 1.559 . . . . 0.0 115.039 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.4 m -66.63 130.47 43.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.485 1.114 . . . . 0.0 109.434 169.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -100.94 167.65 10.13 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.378 1.071 . . . . 0.0 111.699 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.91 -29.17 69.43 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.041 -1.037 . . . . 0.0 112.4 173.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -70.15 -44.61 68.47 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.47 0.708 . . . . 0.0 111.432 171.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -57.19 -44.43 83.59 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.531 1.532 . . . . 0.0 110.769 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.6 tp -73.86 -37.85 64.65 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.42 0.688 . . . . 0.0 112.73 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -60.15 -41.39 92.65 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.742 0.701 . . . . 0.0 111.195 172.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -65.59 -37.41 86.56 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.82 0.848 . . . . 0.0 112.134 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -69.01 -30.05 68.37 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -86.47 -7.03 58.74 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -175.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -67.08 -16.96 64.67 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.636 1.107 . . . . 0.0 113.245 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -74.32 -15.17 60.96 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.52 1.128 . . . . 0.0 113.31 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -97.67 -14.6 20.83 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.437 1.095 . . . . 0.0 113.343 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.89 -144.78 16.85 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.371 0.986 . . . . 0.0 113.34 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -89.32 119.45 29.8 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.341 1.056 . . . . 0.0 112.074 -169.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.5 mt -91.33 131.24 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.451 1.1 . . . . 0.0 109.484 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -94.1 -35.79 12.39 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.119 1.767 . . . . 0.0 111.548 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -164.31 150.91 11.19 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.311 1.844 . . . . 0.0 109.35 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.33 138.91 19.61 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.607 1.163 . . . . 0.0 110.667 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.2 m -151.14 158.85 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.961 1.704 . . . . 0.0 111.231 -173.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.5 t -128.79 133.24 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.396 1.478 . . . . 0.0 107.863 169.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.45 HG13 ' CE1' ' A' ' 78' ' ' TYR . 29.0 mm -78.86 117.59 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 123.657 0.783 . . . . 0.0 110.678 -171.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 N--CA 1.466 0.365 0 C-N-CA 126.5 1.92 . . . . 0.0 107.924 169.63 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 N--CA 1.471 0.597 0 CA-C-O 120.843 0.354 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -84.98 -4.15 59.04 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.7 2.11 90.61 Favored Glycine 0 N--CA 1.474 1.171 0 C-N-CA 124.89 1.233 . . . . 0.0 114.02 -176.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.45 ' CE1' HG13 ' A' ' 67' ' ' ILE . 30.0 p90 -143.87 161.98 37.26 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.715 1.206 . . . . 0.0 114.193 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.11 -171.31 12.33 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 127.334 2.397 . . . . 0.0 111.949 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -134.41 148.46 50.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 125.46 1.504 . . . . 0.0 110.696 176.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.0 t -135.38 136.46 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.251 1.42 . . . . 0.0 107.865 171.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.3 m -119.8 135.72 54.74 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 174.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 85.4 mmm -104.13 142.16 34.97 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.291 1.037 . . . . 0.0 110.451 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -60.03 -21.56 61.52 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -153.37 152.29 30.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.882 1.273 . . . . 0.0 111.692 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -56.98 -29.02 62.9 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.156 1.382 . . . . 0.0 112.656 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.63 -21.41 65.38 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.1 m -90.79 -30.06 17.23 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.247 -0.908 . . . . 0.0 111.909 172.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.8 -34.57 62.42 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.887 -1.133 . . . . 0.0 113.228 175.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -65.34 -31.87 73.22 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.583 -0.698 . . . . 0.0 112.173 174.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -71.13 -34.4 71.01 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.479 1.112 . . . . 0.0 112.27 171.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.97 -30.57 66.88 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.0 p -77.99 -4.13 45.48 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -65.14 -23.3 67.09 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -128.84 105.61 18.49 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.055 1.342 . . . . 0.0 109.535 171.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.5 -14.4 12.95 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.132 2.554 . . . . 0.0 113.169 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -136.71 73.86 53.43 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.634 1.174 . . . . 0.0 111.169 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -78.21 -10.8 16.32 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 124.318 3.345 . . . . 0.0 116.365 -169.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.2 mm 64.73 55.31 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.293 1.437 . . . . 0.0 111.255 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.2 mt -67.2 120.23 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.332 1.053 . . . . 0.0 110.155 -175.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.7 21.4 10.13 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.781 2.032 . . . . 0.0 114.143 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.17 26.07 11.78 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.634 1.111 . . . . 0.0 115.238 174.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -146.35 135.94 23.11 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.002 1.321 . . . . 0.0 109.853 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.98 103.17 0.56 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.55 0.74 . . . . 0.0 112.807 -173.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.66 172.63 13.5 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.723 1.209 . . . . 0.0 110.993 173.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -140.94 109.06 5.76 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.318 1.847 . . . . 0.0 108.676 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.4 t -110.69 124.13 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.764 1.626 . . . . 0.0 109.324 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -162.32 160.53 26.8 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.315 1.046 . . . . 0.0 112.815 172.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.6 mt -52.95 148.1 8.25 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.039 0.936 . . . . 0.0 110.681 171.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 1.409 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -176.282 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.7 p -131.79 -23.83 2.24 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.699 1.599 . . . . 0.0 113.376 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 tttp -95.71 133.24 40.04 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.949 0.9 . . . . 0.0 111.646 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.0 mt -129.17 122.95 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 126.152 1.781 . . . . 0.0 109.288 -168.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -87.04 137.69 32.13 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.121 1.369 . . . . 0.0 108.032 168.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.3 t -137.37 94.35 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 123.939 0.895 . . . . 0.0 109.646 -175.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.73 -174.45 28.15 Favored Glycine 0 N--CA 1.467 0.738 0 C-N-CA 123.325 0.488 . . . . 0.0 113.334 173.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.06 14.44 73.59 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.14 0.876 . . . . 0.0 114.149 -174.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.5 mt -70.66 144.08 90.68 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 124.68 1.192 . . . . 0.0 110.106 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -70.43 144.43 50.46 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.311 2.007 . . . . 0.0 109.245 169.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.4 m-30 -63.31 -10.43 16.23 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -170.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -89.72 -1.02 57.9 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.298 1.439 . . . . 0.0 114.77 174.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.6 m -68.21 137.7 55.01 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.12 1.368 . . . . 0.0 109.38 171.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.5 p -112.44 169.59 8.77 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.75 0.82 . . . . 0.0 112.583 174.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.56 -36.83 67.25 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.618 1.167 . . . . 0.0 111.613 173.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -68.32 -43.17 78.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.28 1.432 . . . . 0.0 111.948 173.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.9 m -59.93 -47.3 86.36 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.342 1.057 . . . . 0.0 110.818 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 tp -73.11 -34.95 66.46 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -59.82 -43.99 94.24 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.641 0.655 . . . . 0.0 110.805 170.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -69.33 -37.06 77.54 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.477 0.711 . . . . 0.0 112.107 -175.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -65.66 -31.12 71.97 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 177.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -86.91 -6.52 58.75 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -176.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.77 -16.92 64.35 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.684 1.129 . . . . 0.0 113.053 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -71.75 -14.58 62.05 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.233 1.013 . . . . 0.0 113.277 175.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -99.56 -13.68 19.33 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.625 1.17 . . . . 0.0 113.411 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.64 -147.47 19.15 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.357 0.979 . . . . 0.0 113.322 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.32 129.01 34.91 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.064 0.945 . . . . 0.0 112.602 -172.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.5 mt -105.01 126.91 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.958 1.303 . . . . 0.0 109.44 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -82.25 -44.79 15.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.958 1.703 . . . . 0.0 110.309 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -165.11 150.65 9.6 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.797 2.039 . . . . 0.0 109.382 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.63 144.47 27.22 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.646 1.178 . . . . 0.0 111.273 176.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -150.44 159.09 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.261 1.424 . . . . 0.0 112.171 -173.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.0 t -123.45 134.13 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 126.213 1.805 . . . . 0.0 108.384 169.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mm -81.03 110.26 16.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 124.71 1.204 . . . . 0.0 110.689 -172.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.465 0.318 0 C-N-CA 126.268 1.827 . . . . 0.0 109.225 170.399 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 120.953 0.406 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.0 mtt-85 -92.65 3.81 54.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.15 0.98 . . . . 0.0 113.349 177.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.81 11.76 76.17 Favored Glycine 0 N--CA 1.472 1.052 0 C-N-CA 124.411 1.005 . . . . 0.0 114.247 176.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -146.37 164.79 31.3 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -155.22 -175.42 26.25 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 127.461 2.457 . . . . 0.0 112.095 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -136.03 147.94 48.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.696 1.599 . . . . 0.0 110.766 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.4 t -137.28 133.66 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.787 1.635 . . . . 0.0 108.183 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.7 m -119.6 125.35 48.56 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 82.4 mmm -97.44 145.16 26.45 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.346 1.058 . . . . 0.0 110.47 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -67.91 -20.94 65.14 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -175.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -147.65 151.23 35.82 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.37 1.468 . . . . 0.0 111.225 177.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -51.93 -38.42 56.31 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.372 1.069 . . . . 0.0 112.191 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.94 -16.95 62.69 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.8 m -84.53 -30.86 24.76 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.362 -0.836 . . . . 0.0 111.724 170.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.38 -35.04 65.85 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.937 -1.102 . . . . 0.0 112.395 171.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -57.2 -39.54 75.59 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.007 0.923 . . . . 0.0 111.638 170.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -70.88 -31.67 68.41 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.858 0.863 . . . . 0.0 112.686 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.69 -33.49 64.45 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.3 p -78.75 -4.26 48.41 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.827 1.418 . . . . 0.0 114.827 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.55 -25.72 68.2 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -132.87 108.21 12.83 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.531 1.532 . . . . 0.0 109.735 174.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.5 -13.12 16.7 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.963 2.442 . . . . 0.0 113.142 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -133.12 73.22 75.2 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 124.475 1.11 . . . . 0.0 111.819 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.11 -10.64 13.77 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 124.256 3.304 . . . . 0.0 116.15 -170.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 65.23 59.34 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 125.812 1.645 . . . . 0.0 111.265 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.7 mt -71.39 120.32 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.302 1.041 . . . . 0.0 109.886 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 t0 57.05 29.25 16.16 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.324 1.85 . . . . 0.0 113.736 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.99 28.18 14.39 Favored Glycine 0 CA--C 1.534 1.263 0 N-CA-C 115.68 1.032 . . . . 0.0 115.68 171.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -152.25 140.44 20.36 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.816 1.246 . . . . 0.0 109.649 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.35 102.58 0.42 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.521 0.728 . . . . 0.0 112.662 -174.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.97 170.68 16.2 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.566 1.146 . . . . 0.0 110.518 171.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -145.19 99.15 3.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.979 1.712 . . . . 0.0 108.306 -172.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 87.6 t -107.33 126.97 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 126.127 1.771 . . . . 0.0 110.196 -168.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -163.59 163.18 24.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.962 1.305 . . . . 0.0 112.231 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.35 150.76 14.14 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.586 -0.696 . . . . 0.0 110.661 173.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.362 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 -177.149 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.8 p -126.83 -16.56 5.15 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.953 1.301 . . . . 0.0 114.186 -173.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -91.77 121.83 33.76 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.061 1.744 . . . . 0.0 110.433 174.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 mt -126.76 123.76 63.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.456 1.503 . . . . 0.0 110.725 -167.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -86.61 134.66 33.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.804 1.642 . . . . 0.0 108.416 169.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.7 t -135.46 90.22 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.323 1.049 . . . . 0.0 109.295 -173.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.63 -173.33 30.78 Favored Glycine 0 N--CA 1.466 0.646 0 C-N-CA 124.188 0.899 . . . . 0.0 114.207 177.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.81 15.19 71.14 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.602 1.096 . . . . 0.0 114.124 -174.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.3 mt -70.9 145.08 91.33 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 124.828 1.251 . . . . 0.0 110.472 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.9 142.17 42.29 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 122.103 1.868 . . . . 0.0 108.654 168.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -61.99 -13.12 22.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -169.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -88.78 -0.66 57.54 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.405 1.482 . . . . 0.0 114.765 175.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.7 m -64.99 131.85 47.68 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.715 1.206 . . . . 0.0 109.124 172.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.3 m -106.47 168.41 9.18 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.952 0.901 . . . . 0.0 111.925 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -58.63 -40.28 82.89 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.379 -0.826 . . . . 0.0 111.897 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.04 -40.89 91.35 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.518 0.727 . . . . 0.0 112.043 174.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 m -56.4 -46.54 80.11 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.925 1.29 . . . . 0.0 110.58 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.0 tp -75.25 -34.63 61.42 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -61.87 -42.83 99.53 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.03 0.832 . . . . 0.0 111.316 171.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.29 -41.57 76.64 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.105 0.962 . . . . 0.0 111.384 -175.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -61.68 -32.75 72.96 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -86.62 -5.55 59.1 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -67.63 -18.11 64.85 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.863 1.21 . . . . 0.0 112.987 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -70.16 -15.69 62.98 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.818 0.847 . . . . 0.0 113.103 174.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -100.29 -11.87 19.98 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.706 1.202 . . . . 0.0 113.417 -177.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.16 -143.53 15.19 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 124.439 1.019 . . . . 0.0 113.525 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -94.16 136.18 34.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.017 1.327 . . . . 0.0 112.205 -169.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.4 mt -116.98 129.52 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.865 1.266 . . . . 0.0 111.071 -168.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.48 -44.71 23.84 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.457 1.503 . . . . 0.0 111.961 171.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -164.02 145.74 8.93 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.515 1.926 . . . . 0.0 108.671 -169.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.01 127.18 7.06 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.292 1.037 . . . . 0.0 110.633 173.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.8 m -154.47 158.07 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.209 1.404 . . . . 0.0 111.469 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.57 134.78 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.041 1.736 . . . . 0.0 108.823 173.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.8 mm -78.96 109.02 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.973 0.892 . . . . 0.0 109.908 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 CA--C 1.516 -0.338 0 C-N-CA 125.75 1.62 . . . . 0.0 109.148 169.14 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.0 mtt-85 -104.5 0.67 29.05 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.485 1.114 . . . . 0.0 113.579 170.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.43 14.81 81.76 Favored Glycine 0 N--CA 1.47 0.921 0 O-C-N 121.435 -0.79 . . . . 0.0 113.765 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -145.31 156.16 43.64 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.59 1.195 . . . . 0.0 113.772 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.13 -176.28 14.43 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 126.935 2.207 . . . . 0.0 112.332 175.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -126.61 147.83 49.86 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.451 1.5 . . . . 0.0 109.987 173.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.0 133.97 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 126.341 1.856 . . . . 0.0 107.436 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.0 m -126.3 134.37 51.15 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 81.9 mmm -104.15 147.09 27.84 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.406 1.082 . . . . 0.0 110.927 -172.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -68.25 -18.8 64.64 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -155.63 152.28 28.52 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.939 1.296 . . . . 0.0 111.874 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -57.25 -30.5 64.69 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.887 1.275 . . . . 0.0 112.689 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.53 -17.0 63.55 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 175.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.3 m -92.43 -34.89 13.95 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.97 -1.081 . . . . 0.0 111.161 169.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.78 73.45 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.68 -37.71 88.36 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.764 0.711 . . . . 0.0 111.967 175.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -70.78 -35.3 72.52 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.439 1.096 . . . . 0.0 112.138 172.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.97 -38.61 79.47 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.8 p -79.83 -8.04 59.05 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.915 1.079 . . . . 0.0 113.915 176.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -60.95 -32.63 72.15 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.364 1.466 . . . . 0.0 113.779 -175.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -113.48 110.62 50.04 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.456 1.503 . . . . 0.0 109.492 172.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.84 -16.34 14.55 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.898 2.399 . . . . 0.0 113.147 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -138.17 76.27 38.87 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.177 1.391 . . . . 0.0 111.288 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.92 -11.15 13.87 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.955 3.103 . . . . 0.0 115.932 -169.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.9 mm 66.46 57.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 125.358 1.463 . . . . 0.0 111.43 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.5 mt -70.52 119.37 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.339 1.056 . . . . 0.0 110.233 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.62 21.73 11.59 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.947 2.099 . . . . 0.0 114.312 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.21 28.25 10.03 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.507 1.051 . . . . 0.0 115.15 174.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -147.77 138.33 23.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.43 1.492 . . . . 0.0 109.448 178.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.26 104.16 0.46 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.516 0.674 . . . . 0.0 112.382 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.53 170.44 16.34 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.686 1.195 . . . . 0.0 110.073 169.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -140.95 115.99 9.83 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.136 1.775 . . . . 0.0 108.739 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.7 t -113.39 126.7 70.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.998 1.319 . . . . 0.0 109.821 -171.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -159.99 161.24 34.06 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.894 1.277 . . . . 0.0 112.093 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.97 154.03 27.66 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.212 -0.93 . . . . 0.0 110.803 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -176.906 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.8 p -135.77 -21.29 1.49 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.546 1.138 . . . . 0.0 114.07 -177.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -86.92 129.96 34.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.306 1.443 . . . . 0.0 110.546 171.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.7 mt -129.5 119.22 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 126.053 1.741 . . . . 0.0 109.269 -169.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -81.98 137.34 35.15 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.662 1.185 . . . . 0.0 108.019 168.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.426 HG13 HG22 ' A' ' 107' ' ' VAL . 43.7 t -135.39 92.23 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.614 0.766 . . . . 0.0 109.463 -178.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.451 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -101.97 -175.74 27.94 Favored Glycine 0 N--CA 1.469 0.89 0 C-N-CA 123.067 0.365 . . . . 0.0 113.452 177.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.27 19.73 70.66 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 123.737 0.684 . . . . 0.0 113.631 -174.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.5 mt -73.98 145.02 83.18 Favored Pre-proline 0 C--O 1.24 0.562 0 C-N-CA 124.499 1.12 . . . . 0.0 109.919 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -69.76 145.13 56.21 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.181 1.921 . . . . 0.0 109.263 169.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -62.58 -11.7 18.33 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -170.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -90.47 2.03 56.09 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.385 1.474 . . . . 0.0 114.835 175.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.6 m -71.06 135.53 47.8 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.072 1.349 . . . . 0.0 109.741 173.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.6 m -111.96 168.87 9.25 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.41 1.084 . . . . 0.0 111.989 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -52.86 -36.01 58.43 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.703 1.201 . . . . 0.0 112.869 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -76.3 -40.4 51.71 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.3 1.04 . . . . 0.0 111.928 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -54.83 -43.95 73.44 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.61 1.164 . . . . 0.0 110.558 174.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.1 tp -74.85 -40.19 61.14 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -59.62 -41.3 90.1 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.708 0.685 . . . . 0.0 111.399 173.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.07 -34.36 73.1 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.4 1.08 . . . . 0.0 111.67 -175.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -70.16 -33.16 71.42 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.404 -0.81 . . . . 0.0 112.887 173.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -80.58 -8.85 59.74 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -175.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.11 -16.93 64.37 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.527 1.058 . . . . 0.0 113.175 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -72.7 -21.89 60.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.031 0.932 . . . . 0.0 113.35 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -89.64 -20.73 23.33 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.208 1.003 . . . . 0.0 113.048 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.5 -144.66 15.11 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.06 1.314 . . . . 0.0 112.909 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -87.55 124.9 33.97 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.076 0.95 . . . . 0.0 112.212 -170.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.0 mt -99.96 128.04 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.689 1.196 . . . . 0.0 109.922 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -90.62 -36.45 14.4 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.687 1.595 . . . . 0.0 111.712 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -166.62 152.19 8.18 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.654 1.982 . . . . 0.0 109.342 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.69 140.15 18.73 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.529 1.131 . . . . 0.0 111.225 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.7 m -151.04 159.14 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.848 1.659 . . . . 0.0 111.375 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.6 t -126.66 133.34 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.345 1.458 . . . . 0.0 107.782 169.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.445 HG13 ' CE2' ' A' ' 78' ' ' TYR . 49.2 mm -76.11 116.18 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 123.641 0.776 . . . . 0.0 110.5 -171.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.468 0.46 0 C-N-CA 126.568 1.947 . . . . 0.0 108.743 172.507 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 120.92 0.39 . . . . 0.0 111.702 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -84.98 -5.01 59.36 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.23 4.42 88.17 Favored Glycine 0 N--CA 1.474 1.226 0 C-N-CA 124.681 1.134 . . . . 0.0 114.163 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.451 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 27.7 p90 -146.7 162.94 37.45 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.236 1.414 . . . . 0.0 114.119 177.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.66 -172.7 13.07 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 127.246 2.355 . . . . 0.0 112.315 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -135.28 146.83 48.92 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.73 1.612 . . . . 0.0 110.726 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.8 t -134.7 140.37 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.307 1.443 . . . . 0.0 108.345 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.7 m -121.27 132.0 54.55 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 172.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 88.6 mmm -104.07 145.25 30.45 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.217 1.007 . . . . 0.0 110.774 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -67.46 -17.47 64.71 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -147.34 145.49 29.33 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.241 1.816 . . . . 0.0 110.884 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -57.77 -33.07 68.12 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.615 1.566 . . . . 0.0 112.166 174.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.59 -19.42 64.45 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.426 1.091 . . . . 0.0 113.894 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.6 m -89.09 -33.5 17.08 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.337 -0.852 . . . . 0.0 111.778 170.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.29 -36.1 71.54 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.18 -0.95 . . . . 0.0 113.531 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.95 -41.09 97.59 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.531 0.605 . . . . 0.0 111.397 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.7 mtp-105 -63.18 -27.94 69.71 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.949 0.9 . . . . 0.0 112.935 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.11 -48.76 19.48 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.713 0.805 . . . . 0.0 112.076 174.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.9 p -69.86 -19.2 63.45 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -177.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -66.33 -18.23 65.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.142 1.377 . . . . 0.0 114.684 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -121.63 82.27 40.82 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 126.114 1.766 . . . . 0.0 109.514 174.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.47 -22.27 14.18 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.149 2.566 . . . . 0.0 114.194 -169.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -122.34 75.84 43.01 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 124.222 1.009 . . . . 0.0 111.632 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.9 -14.68 12.29 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 124.018 3.146 . . . . 0.0 115.808 -174.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.9 mm 64.58 55.55 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 125.608 1.563 . . . . 0.0 111.017 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.95 118.73 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.122 -0.986 . . . . 0.0 109.808 -175.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.12 23.11 9.76 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.544 1.938 . . . . 0.0 114.182 177.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.36 32.56 6.3 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.652 1.12 . . . . 0.0 115.745 171.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.28 137.24 18.18 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.812 1.306 . . . . 0.0 109.068 175.06 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -62.11 102.99 0.33 Allowed 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.753 -0.592 . . . . 0.0 112.332 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.55 171.24 15.4 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.861 1.264 . . . . 0.0 111.731 173.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -137.19 95.05 3.02 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.848 2.059 . . . . 0.0 108.499 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 39' ' ' VAL . 98.4 t -96.6 123.57 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.52 1.528 . . . . 0.0 109.206 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -159.22 160.82 35.82 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.966 0.906 . . . . 0.0 112.988 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.05 142.43 42.22 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 169.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.563 1.449 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -175.858 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 . . . . . 0 CA--C 1.541 0.625 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.1 p -138.24 -17.95 1.16 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.164 1.386 . . . . 0.0 114.341 -172.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -89.46 124.64 34.67 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.542 1.537 . . . . 0.0 110.62 175.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.8 mt -126.37 120.66 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.362 1.465 . . . . 0.0 109.755 -169.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -82.82 138.39 33.98 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.253 1.421 . . . . 0.0 108.698 169.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.5 t -136.15 90.93 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.13 0.972 . . . . 0.0 109.617 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.46 -176.12 35.74 Favored Glycine 0 N--CA 1.47 0.92 0 C-N-CA 123.444 0.545 . . . . 0.0 112.999 175.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.9 15.03 71.19 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.18 0.895 . . . . 0.0 114.082 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.44 145.06 87.32 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 124.682 1.193 . . . . 0.0 110.057 175.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -70.02 143.29 49.15 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.18 1.92 . . . . 0.0 109.051 169.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -61.23 -13.54 19.24 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.505 1.669 . . . . 0.0 115.505 -169.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -89.74 -0.14 57.35 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.36 1.464 . . . . 0.0 114.793 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -68.15 130.04 41.74 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.742 1.217 . . . . 0.0 109.426 174.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -96.77 165.41 12.13 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.971 0.891 . . . . 0.0 112.392 173.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -55.1 -33.04 62.49 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.407 1.083 . . . . 0.0 112.743 170.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -80.9 -34.19 33.66 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.452 -0.785 . . . . 0.0 112.454 175.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.3 m -59.2 -42.28 90.53 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 119.381 0.991 . . . . 0.0 110.283 174.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 tp -70.93 -39.93 72.38 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.188 0.595 . . . . 0.0 112.57 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -60.86 -38.29 85.06 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.717 -0.615 . . . . 0.0 111.787 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -72.81 -16.8 61.61 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.8 1.24 . . . . 0.0 112.96 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -87.98 -43.16 11.95 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.948 0.794 . . . . 0.0 111.992 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -76.89 -15.91 59.55 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -7.27 41.42 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.61 -18.7 61.02 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.622 0.769 . . . . 0.0 112.824 169.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -93.93 -14.22 26.24 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.693 1.197 . . . . 0.0 113.34 -175.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.37 -146.6 18.41 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 124.639 1.114 . . . . 0.0 113.008 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -88.18 123.11 32.49 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.189 0.996 . . . . 0.0 112.16 -170.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.4 mt -93.04 132.9 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.353 1.061 . . . . 0.0 109.982 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -97.15 -32.43 11.95 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.02 2.128 . . . . 0.0 112.113 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -161.06 147.47 14.8 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.979 2.112 . . . . 0.0 108.403 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.21 135.88 18.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.376 1.07 . . . . 0.0 110.553 173.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.3 m -152.85 160.31 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.326 1.45 . . . . 0.0 111.9 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.6 t -129.06 128.74 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 167.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.445 HG13 ' CE1' ' A' ' 78' ' ' TYR . 48.3 mm -77.99 111.64 15.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 124.065 0.946 . . . . 0.0 110.728 -169.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.465 0.31 0 C-N-CA 126.638 1.975 . . . . 0.0 109.26 175.266 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 N--CA 1.472 0.633 0 CA-C-O 121.046 0.45 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -80.26 -10.14 59.75 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 170.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.17 9.5 86.54 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 123.838 0.732 . . . . 0.0 113.578 -171.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.445 ' CE1' HG13 ' A' ' 67' ' ' ILE . 9.6 p90 -137.52 158.15 45.01 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.707 1.254 . . . . 0.0 114.043 174.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.28 -171.79 13.32 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 127.355 2.407 . . . . 0.0 112.377 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -135.42 150.95 50.0 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.546 1.538 . . . . 0.0 110.89 175.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.6 t -138.13 129.53 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.38 1.472 . . . . 0.0 107.885 169.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.5 m -112.96 133.61 54.85 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 174.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 82.4 mmm -102.59 142.4 33.83 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.353 1.061 . . . . 0.0 110.408 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -64.22 -19.25 65.23 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -154.22 152.43 30.32 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.966 1.306 . . . . 0.0 112.235 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -57.46 -29.48 64.25 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.629 1.171 . . . . 0.0 113.276 178.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.16 -25.53 65.31 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.732 1.151 . . . . 0.0 113.379 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.1 m -84.86 -34.96 22.52 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.631 -0.668 . . . . 0.0 111.43 171.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.97 82.07 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.207 -0.933 . . . . 0.0 113.036 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -60.48 -34.77 74.52 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.247 1.019 . . . . 0.0 112.644 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -72.72 -38.04 67.58 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.141 0.576 . . . . 0.0 111.73 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.11 -39.88 63.06 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.7 p -74.19 -14.9 61.01 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -18.63 59.83 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -169.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -112.04 104.94 56.4 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 125.252 1.421 . . . . 0.0 109.07 169.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.26 -17.81 12.98 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.923 2.415 . . . . 0.0 113.106 -176.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -136.88 77.51 43.93 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.742 1.217 . . . . 0.0 111.825 -175.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.73 -13.84 14.35 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 124.099 3.199 . . . . 0.0 115.892 -174.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.4 mm 64.59 54.97 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 125.605 1.562 . . . . 0.0 111.33 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -69.87 120.68 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.323 1.049 . . . . 0.0 110.343 -174.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.22 21.81 9.98 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.848 2.059 . . . . 0.0 114.129 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.32 28.9 8.75 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.595 1.093 . . . . 0.0 115.438 173.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -150.0 139.35 21.37 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.071 1.348 . . . . 0.0 109.831 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -64.69 102.82 0.61 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.475 0.655 . . . . 0.0 112.418 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.42 163.44 24.79 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.665 1.186 . . . . 0.0 110.338 169.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -132.91 106.17 7.54 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.674 1.59 . . . . 0.0 108.393 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.5 t -108.61 125.78 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.318 1.447 . . . . 0.0 110.273 -169.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -166.04 163.88 18.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.958 1.303 . . . . 0.0 112.507 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.6 mt -55.87 152.21 10.32 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.745 0.818 . . . . 0.0 111.277 174.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.277 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 . . . . . 0 CA--C 1.544 0.725 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.05 -22.8 2.53 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.914 1.286 . . . . 0.0 113.786 177.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -88.65 133.05 34.31 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.97 1.308 . . . . 0.0 111.37 172.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.8 mt -130.57 120.76 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 126.609 1.964 . . . . 0.0 109.228 -169.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -84.43 137.93 33.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.749 1.219 . . . . 0.0 108.36 168.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.411 HG13 HG22 ' A' ' 107' ' ' VAL . 53.9 t -137.52 90.86 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.02 0.928 . . . . 0.0 109.701 -176.006 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.88 -176.02 30.74 Favored Glycine 0 N--CA 1.47 0.94 0 C-N-CA 122.981 0.324 . . . . 0.0 113.187 174.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.85 16.94 76.52 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.778 0.704 . . . . 0.0 113.835 -176.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.2 mt -73.96 147.36 86.09 Favored Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 125.106 1.362 . . . . 0.0 109.548 172.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.52 151.86 53.54 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.03 1.82 . . . . 0.0 109.368 169.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -64.11 -11.02 26.12 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -171.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -92.32 -5.24 52.63 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.4 m -66.9 139.87 57.75 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.951 1.301 . . . . 0.0 110.291 174.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.2 m -115.5 168.52 9.92 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.229 1.012 . . . . 0.0 112.411 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -57.87 -35.88 71.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.51 1.124 . . . . 0.0 113.063 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -69.91 -40.65 75.45 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.781 -0.575 . . . . 0.0 111.613 174.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.9 m -57.85 -44.71 86.71 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.235 1.414 . . . . 0.0 110.606 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.0 tp -73.92 -36.21 64.69 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -60.0 -42.84 95.13 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.747 0.703 . . . . 0.0 111.113 171.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.32 -41.11 85.81 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.114 0.965 . . . . 0.0 111.73 -176.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -65.87 -32.44 73.96 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -83.17 -7.24 59.65 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -175.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -66.56 -17.99 65.12 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.727 1.149 . . . . 0.0 113.019 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -71.23 -16.86 62.52 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.01 0.924 . . . . 0.0 113.363 174.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -96.89 -12.85 22.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.601 1.16 . . . . 0.0 112.961 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.69 -160.28 23.97 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.6 1.571 . . . . 0.0 112.824 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -76.93 139.38 40.16 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.334 1.454 . . . . 0.0 112.251 -175.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.6 mt -116.96 130.65 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.341 1.456 . . . . 0.0 110.473 -168.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.75 -47.91 28.48 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.879 1.272 . . . . 0.0 111.204 173.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -168.91 151.39 4.89 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.532 1.933 . . . . 0.0 109.168 -172.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.77 146.37 30.25 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.827 1.251 . . . . 0.0 110.558 172.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.5 m -150.04 157.22 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.804 1.642 . . . . 0.0 111.203 -173.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.9 t -125.55 131.93 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.186 1.394 . . . . 0.0 107.487 169.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.435 HG13 ' CE2' ' A' ' 78' ' ' TYR . 50.3 mm -77.64 111.73 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 123.818 0.847 . . . . 0.0 110.775 -169.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.47 0.532 0 C-N-CA 126.726 2.01 . . . . 0.0 108.577 171.528 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -82.69 -10.34 58.96 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.83 9.57 82.59 Favored Glycine 0 N--CA 1.473 1.151 0 C-N-CA 123.996 0.808 . . . . 0.0 113.717 -173.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.435 ' CE2' HG13 ' A' ' 67' ' ' ILE . 8.6 p90 -142.63 161.32 38.38 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.632 1.173 . . . . 0.0 114.075 175.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.56 -172.3 15.04 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 127.39 2.424 . . . . 0.0 112.607 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -136.48 149.6 48.27 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.183 1.793 . . . . 0.0 110.759 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.5 t -137.72 142.17 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 126.018 1.727 . . . . 0.0 108.43 174.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.9 m -127.31 135.67 50.87 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.86 0.864 . . . . 0.0 108.994 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 90.3 mmm -102.47 142.89 32.92 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.435 1.094 . . . . 0.0 111.574 -173.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -69.76 -19.75 63.51 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.917 1.081 . . . . 0.0 113.917 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -136.66 145.32 44.67 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.363 1.465 . . . . 0.0 111.031 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -67.05 -35.18 79.3 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.276 1.03 . . . . 0.0 112.743 -171.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.59 -30.04 69.55 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 173.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 m -68.55 -29.92 68.59 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.751 -1.218 . . . . 0.0 112.589 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.24 -30.73 66.69 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.308 -0.87 . . . . 0.0 112.16 169.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.08 -26.91 63.26 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.9 mtt85 -70.14 -33.5 71.87 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.336 -0.852 . . . . 0.0 111.435 170.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.23 -48.28 29.88 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.043 0.937 . . . . 0.0 112.932 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.4 p -70.87 -16.32 62.69 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm -68.35 -15.83 63.71 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 173.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -119.82 88.4 39.87 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 124.761 1.225 . . . . 0.0 109.638 169.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -76.89 -20.87 12.91 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.352 2.701 . . . . 0.0 113.093 -174.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -128.68 73.08 81.13 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.59 1.156 . . . . 0.0 112.093 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.36 -11.75 10.61 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 124.512 3.475 . . . . 0.0 115.798 -173.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 mm 64.55 55.88 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 125.776 1.63 . . . . 0.0 111.148 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.3 mt -70.0 123.68 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.052 -1.03 . . . . 0.0 109.508 -177.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 t0 64.65 13.6 8.44 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.684 1.594 . . . . 0.0 113.666 171.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.24 36.22 5.25 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.554 1.55 . . . . 0.0 115.205 176.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -152.9 144.2 23.22 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.437 1.118 . . . . 0.0 109.407 169.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -62.99 96.05 0.09 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.404 0.682 . . . . 0.0 111.849 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.06 164.79 25.53 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.169 0.988 . . . . 0.0 111.013 174.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -134.47 92.84 2.97 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.924 1.69 . . . . 0.0 107.817 -176.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.411 HG22 HG13 ' A' ' 39' ' ' VAL . 98.2 t -100.53 124.33 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.736 1.614 . . . . 0.0 109.59 -170.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -164.56 159.71 19.49 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.318 1.047 . . . . 0.0 112.667 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.3 mt -52.59 146.11 10.62 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.6 0.76 . . . . 0.0 110.189 169.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.348 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -176.559 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.3 p -133.78 -20.21 2.01 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.535 1.134 . . . . 0.0 113.923 -176.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -88.34 134.18 33.89 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.476 1.131 . . . . 0.0 111.159 169.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.0 mt -126.69 122.68 61.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 127.133 2.173 . . . . 0.0 108.121 -168.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -77.91 135.47 37.88 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.963 1.305 . . . . 0.0 108.416 168.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 t -135.53 78.66 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 124.286 1.034 . . . . 0.0 109.297 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.34 177.5 50.38 Favored Glycine 0 N--CA 1.466 0.641 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.38 169.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.39 22.99 66.34 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.782 1.182 . . . . 0.0 113.986 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.5 mt -80.97 151.15 70.11 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 125.314 1.446 . . . . 0.0 110.725 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.22 143.28 31.67 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.033 1.822 . . . . 0.0 108.322 167.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.09 -12.33 18.7 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -169.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -91.15 1.12 57.33 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.487 1.515 . . . . 0.0 114.803 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.4 m -66.69 135.01 53.4 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.812 1.245 . . . . 0.0 109.401 171.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.9 m -109.9 168.7 9.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.977 0.911 . . . . 0.0 112.086 175.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.94 -38.48 72.98 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.623 1.169 . . . . 0.0 112.315 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -72.92 -36.25 67.21 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.884 0.874 . . . . 0.0 112.31 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 m -57.81 -41.08 81.43 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.928 1.291 . . . . 0.0 110.801 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 tp -73.04 -40.43 65.13 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.608 0.763 . . . . 0.0 112.502 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -59.63 -38.2 80.72 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.701 -0.624 . . . . 0.0 111.715 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -72.12 -14.46 61.84 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.974 1.31 . . . . 0.0 113.266 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -91.23 -41.22 11.09 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.232 0.924 . . . . 0.0 112.555 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.08 -14.19 59.3 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -174.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -6.96 40.97 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -179.16 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -76.54 -17.32 59.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.873 0.869 . . . . 0.0 112.95 170.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -95.5 -14.66 23.49 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.626 1.17 . . . . 0.0 113.456 -175.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.98 -146.76 18.23 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.641 1.115 . . . . 0.0 112.723 -178.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -89.34 123.48 33.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.065 0.946 . . . . 0.0 112.292 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.8 mt -95.68 128.3 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.404 1.082 . . . . 0.0 109.692 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -81.28 -45.92 15.52 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.075 1.75 . . . . 0.0 110.282 174.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -164.75 148.62 9.02 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.694 1.997 . . . . 0.0 109.584 177.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.49 142.54 32.29 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.644 1.178 . . . . 0.0 110.954 176.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.3 m -148.86 157.06 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.945 1.298 . . . . 0.0 112.277 -173.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.4 t -120.47 134.48 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.921 1.689 . . . . 0.0 107.87 169.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 30.6 mm -84.69 99.47 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.533 1.133 . . . . 0.0 109.93 -169.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.474 0.766 0 C-N-CA 127.731 2.413 . . . . 0.0 109.747 -178.123 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.474 0.739 0 CA-C-O 120.856 0.36 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -89.31 2.41 54.39 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.972 0.909 . . . . 0.0 113.232 173.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.8 8.92 83.68 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 124.56 1.076 . . . . 0.0 113.984 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -138.57 155.56 48.25 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.56 -179.11 16.89 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 127.486 2.47 . . . . 0.0 112.12 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -136.13 145.86 46.32 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.456 1.502 . . . . 0.0 110.19 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.0 t -134.81 125.88 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.787 1.235 . . . . 0.0 109.054 176.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.6 m -106.98 125.78 51.45 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.383 1.073 . . . . 0.0 108.493 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 80.3 mmm -95.0 151.04 19.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.895 1.278 . . . . 0.0 110.3 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -72.75 -17.1 61.63 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -156.22 153.64 29.5 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.172 1.389 . . . . 0.0 112.216 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -57.46 -28.69 63.58 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.387 1.075 . . . . 0.0 113.286 178.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.05 -24.92 63.34 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.2 m -84.73 -33.75 23.03 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.427 -0.796 . . . . 0.0 111.291 169.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.69 -34.77 74.39 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.17 -42.61 88.68 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.907 0.776 . . . . 0.0 111.056 175.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -61.04 -31.48 71.12 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.385 1.074 . . . . 0.0 111.864 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.59 -12.09 60.0 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.2 p -108.97 -0.84 19.39 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -60.12 -28.59 67.99 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -122.54 111.37 31.56 Favored Pre-proline 0 CA--C 1.547 0.827 0 C-N-CA 126.128 1.771 . . . . 0.0 109.389 170.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -79.85 -12.38 13.48 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.136 2.558 . . . . 0.0 113.489 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -132.48 71.01 79.49 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 124.928 1.291 . . . . 0.0 112.218 -178.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -79.41 -11.53 14.4 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 124.376 3.384 . . . . 0.0 116.561 -171.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.3 mm 64.86 60.49 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 125.969 1.707 . . . . 0.0 111.449 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.0 mt -71.76 117.28 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.095 -1.003 . . . . 0.0 110.165 -176.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 t70 61.27 15.92 6.86 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.028 2.131 . . . . 0.0 114.796 174.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.24 34.52 3.64 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.081 1.324 . . . . 0.0 115.619 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -154.04 141.77 20.0 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.843 1.257 . . . . 0.0 109.606 172.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -66.62 103.03 0.99 Allowed 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.713 -0.617 . . . . 0.0 111.857 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.1 161.75 29.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.27 1.028 . . . . 0.0 111.105 175.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -127.33 110.58 12.96 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.157 1.383 . . . . 0.0 108.361 171.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 58.2 t -113.95 122.67 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.865 1.266 . . . . 0.0 110.38 -169.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -165.76 163.67 18.9 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.897 1.679 . . . . 0.0 111.615 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.7 mt -56.26 146.26 24.24 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.436 0.694 . . . . 0.0 111.314 174.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 1.228 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -178.851 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.474 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -144.84 -19.97 0.51 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.792 1.237 . . . . 0.0 114.289 -170.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p -141.4 -179.09 5.93 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.915 1.286 . . . . 0.0 111.557 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -86.09 0.94 52.26 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.955 1.302 . . . . 0.0 113.73 171.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.99 28.99 1.09 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.604 1.562 . . . . 0.0 112.918 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -164.88 158.27 14.48 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 127.536 2.334 . . . . 0.0 109.17 -169.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.96 68.78 4.78 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.575 2.85 . . . . 0.0 111.454 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.0 -4.92 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 126.052 1.741 . . . . 0.0 113.483 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 m -149.18 155.94 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 128.14 2.576 . . . . 0.0 109.206 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.64 -175.81 27.09 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 123.883 0.754 . . . . 0.0 114.734 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.9 p -79.4 -5.35 54.44 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 73.9 -2.79 2.68 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.786 2.434 . . . . 0.0 114.888 174.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -153.19 135.05 14.62 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.766 1.626 . . . . 0.0 110.526 -177.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.3 p 68.21 -44.0 0.49 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 129.141 2.976 . . . . 0.0 112.888 -169.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 54.4 ttm -58.61 -23.23 58.44 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.382 1.073 . . . . 0.0 113.063 173.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -121.37 8.34 10.21 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.374 1.469 . . . . 0.0 113.7 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.8 p -141.38 -20.05 0.77 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -99.33 128.18 45.42 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.101 1.36 . . . . 0.0 110.451 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.0 mt -125.41 119.63 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.514 1.526 . . . . 0.0 109.803 -168.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -81.56 137.07 35.58 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 167.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -134.83 92.27 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 123.961 0.904 . . . . 0.0 109.45 -176.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.53 -175.26 31.18 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.389 0.519 . . . . 0.0 113.375 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.09 17.52 71.96 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.347 0.975 . . . . 0.0 114.24 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.25 151.28 92.22 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 125.118 1.367 . . . . 0.0 110.64 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.22 141.9 36.69 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 121.958 1.772 . . . . 0.0 108.47 168.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -62.87 -11.77 20.49 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.948 1.833 . . . . 0.0 115.948 -168.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -87.39 -3.1 59.01 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -66.73 133.97 51.27 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.018 1.327 . . . . 0.0 109.97 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.2 m -110.71 169.49 8.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.387 1.075 . . . . 0.0 111.816 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -56.11 -37.1 68.95 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.32 1.048 . . . . 0.0 112.92 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -71.85 -36.97 70.32 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 173.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.2 m -59.84 -42.04 92.71 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.079 1.352 . . . . 0.0 110.434 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.0 tp -73.19 -40.46 64.75 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.82 0.848 . . . . 0.0 112.441 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.36 -37.26 82.71 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.61 -0.682 . . . . 0.0 111.971 174.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -72.91 -13.29 61.23 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.927 1.291 . . . . 0.0 112.848 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -95.16 -40.72 9.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.913 0.779 . . . . 0.0 112.615 171.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -75.47 -14.11 60.41 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -7.24 37.76 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -76.95 -19.05 57.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.844 0.857 . . . . 0.0 113.032 170.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -93.44 -13.12 28.33 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.377 1.071 . . . . 0.0 113.08 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.55 -147.22 19.11 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 125.224 1.392 . . . . 0.0 112.856 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -87.55 121.5 30.07 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.888 0.875 . . . . 0.0 112.522 -169.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.6 mt -92.14 129.25 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.496 1.118 . . . . 0.0 109.898 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -83.27 -44.83 14.51 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.852 1.661 . . . . 0.0 110.454 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -164.15 151.05 11.61 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.398 1.879 . . . . 0.0 109.696 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.13 146.46 32.78 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.941 1.296 . . . . 0.0 111.099 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.9 m -151.99 160.8 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.988 1.715 . . . . 0.0 111.536 -174.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.5 t -130.06 134.57 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.434 1.494 . . . . 0.0 107.932 169.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.415 HG13 ' CE2' ' A' ' 78' ' ' TYR . 36.3 mm -80.89 111.42 17.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 C-N-CA 123.598 0.759 . . . . 0.0 111.38 -169.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.5 p -123.23 133.62 54.19 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.989 2.116 . . . . 0.0 108.907 171.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.03 141.08 47.04 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -173.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -55.14 -23.93 23.71 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 116.411 2.004 . . . . 0.0 116.411 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -135.65 -17.18 1.73 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -174.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.2 p -108.33 -16.25 14.28 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.553 1.141 . . . . 0.0 113.688 171.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 58.8 17.11 4.95 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.187 1.795 . . . . 0.0 113.409 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 132.43 46.87 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.194 0.997 . . . . 0.0 110.911 176.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.2 m -78.32 125.99 30.15 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.279 1.032 . . . . 0.0 110.793 -177.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 -82.82 -0.12 46.52 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.16 4.76 83.78 Favored Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.893 1.235 . . . . 0.0 114.194 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CE2' HG13 ' A' ' 67' ' ' ILE . 23.9 p90 -143.21 160.68 40.0 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.76 -169.92 12.21 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 127.289 2.376 . . . . 0.0 112.371 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -137.11 150.1 47.77 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.465 1.506 . . . . 0.0 111.259 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.48 132.55 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.43 1.492 . . . . 0.0 108.402 172.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.6 m -113.98 133.03 55.75 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 172.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.0 mmm -103.24 148.17 26.14 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.502 1.121 . . . . 0.0 110.824 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -70.17 -16.03 63.03 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -154.89 152.01 29.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.247 1.419 . . . . 0.0 111.55 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 53.3 mtt85 -55.68 -33.01 63.75 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.21 1.404 . . . . 0.0 112.231 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.59 -18.66 64.37 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.539 1.136 . . . . 0.0 113.818 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.2 m -91.47 -29.91 16.76 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.039 -1.038 . . . . 0.0 112.169 171.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.87 -34.37 60.02 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.122 -0.986 . . . . 0.0 113.266 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.38 -38.15 90.04 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.626 0.648 . . . . 0.0 112.458 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -67.82 -26.97 66.33 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.667 1.187 . . . . 0.0 112.592 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.44 -51.0 11.51 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.784 0.834 . . . . 0.0 111.75 173.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.5 p -67.35 -19.21 65.41 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -64.33 -13.92 53.13 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 170.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -122.04 92.89 48.81 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 124.848 1.259 . . . . 0.0 109.695 169.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -75.98 -22.1 13.46 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.338 2.692 . . . . 0.0 113.146 -173.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -132.97 75.08 72.91 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.501 1.12 . . . . 0.0 112.003 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -81.1 -12.84 11.64 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 124.291 3.327 . . . . 0.0 116.191 -172.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 65.08 56.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 125.836 1.655 . . . . 0.0 111.401 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.66 119.2 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.104 -0.998 . . . . 0.0 110.276 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.48 19.07 6.19 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.641 1.976 . . . . 0.0 114.704 175.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.21 34.88 4.66 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.969 1.271 . . . . 0.0 115.515 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -152.66 142.27 21.84 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 118.755 1.277 . . . . 0.0 110.49 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -65.77 99.54 0.47 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.82 0.819 . . . . 0.0 112.072 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.94 169.09 18.75 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.739 1.216 . . . . 0.0 111.437 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -139.6 96.32 3.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.352 1.861 . . . . 0.0 108.815 -172.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 80.2 t -100.51 124.7 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.279 1.432 . . . . 0.0 109.354 -172.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -156.9 149.85 23.79 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.74 0.816 . . . . 0.0 113.0 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.8 mt -64.43 118.76 9.22 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.693 0.797 . . . . 0.0 108.918 170.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -24.33 -72.36 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 117.449 2.388 . . . . 0.0 117.449 -169.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -34.37 0.53 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.827 1 N-CA-C 123.73 4.715 . . . . 0.0 123.73 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.2 mt -83.53 -65.96 0.95 Allowed 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 124.921 3.509 . . . . 0.0 111.451 -169.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -91.51 15.77 60.63 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.689 1.614 . . . . 0.0 113.037 170.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.94 124.54 21.35 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.106 1.363 . . . . 0.0 112.592 -175.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -92.93 145.86 30.95 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.343 1.457 . . . . 0.0 112.708 -176.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -75.54 142.31 26.13 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.168 2.579 . . . . 0.0 110.908 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -143.08 123.27 13.72 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.445 1.498 . . . . 0.0 109.786 173.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.5 p -80.24 -5.96 57.04 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.518 1.527 . . . . 0.0 113.923 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -70.24 -14.0 62.42 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -174.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 57.6 t -142.05 125.91 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 126.382 1.873 . . . . 0.0 108.133 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 . . . . . 0 C--O 1.254 1.295 0 C-N-CA 125.821 1.648 . . . . 0.0 111.511 -172.766 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 1 C3'-C2'-C1' 105.462 4.402 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 P-O3'-C3' 123.393 3.078 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 O4'-C1'-N19 112.032 3.832 . 0.196 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 O4'-C1'-N19 111.293 3.093 . 0.671 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.586 0 C3'-C2'-C1' 104.464 3.293 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 O4'-C1'-N19 110.805 2.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 111.884 -0.486 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -162.73 167.63 22.73 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.385 1.474 . . . . 0.0 111.116 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.4 m -69.02 126.6 30.31 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.207 1.403 . . . . 0.0 110.595 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -162.4 146.06 11.7 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.531 1.533 . . . . 0.0 111.103 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.65 115.48 10.89 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.013 0.925 . . . . 0.0 110.897 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -164.35 137.61 4.04 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 125.566 1.546 . . . . 0.0 109.413 -175.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -61.75 18.03 0.05 OUTLIER 'Trans proline' 0 CA--C 1.547 1.175 0 C-N-CA 125.067 3.845 . . . . 0.0 117.651 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t 55.29 40.27 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.691 1.596 . . . . 0.0 111.055 -176.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.26 20.3 m 54.53 12.85 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 128.704 2.802 . . . . 0.0 115.39 -172.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.52 -7.82 85.73 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.299 1.428 . . . . 0.0 114.822 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.4 m -144.92 135.78 24.7 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.433 1.493 . . . . 0.0 110.786 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -163.93 145.47 8.95 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.243 1.817 . . . . 0.0 110.147 -175.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -157.49 158.56 35.96 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.354 1.462 . . . . 0.0 111.573 -174.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.6 p -61.47 -23.88 66.18 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 126.584 1.954 . . . . 0.0 113.396 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 57.4 ttm -53.79 -21.45 7.44 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.504 1.122 . . . . 0.0 113.177 169.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -116.85 0.81 12.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.311 1.444 . . . . 0.0 113.956 -176.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.2 p -140.28 -23.17 0.82 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.75 125.69 35.39 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.659 1.184 . . . . 0.0 110.712 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.1 mt -121.5 120.52 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 126.139 1.776 . . . . 0.0 108.724 -170.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -80.55 137.7 36.43 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.136 1.374 . . . . 0.0 108.723 169.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.6 t -137.98 93.75 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.063 0.945 . . . . 0.0 109.633 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.401 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -104.2 -175.42 25.36 Favored Glycine 0 N--CA 1.47 0.921 0 C-N-CA 123.212 0.434 . . . . 0.0 113.612 175.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.71 17.36 73.0 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 123.96 0.79 . . . . 0.0 113.604 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.07 146.6 90.16 Favored Pre-proline 0 CA--C 1.541 0.628 0 C-N-CA 124.87 1.268 . . . . 0.0 110.344 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.14 142.81 42.76 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.23 1.953 . . . . 0.0 109.023 169.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -62.41 -11.98 18.89 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 -169.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -89.75 -0.66 57.68 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.446 1.498 . . . . 0.0 114.807 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.5 m -67.84 137.54 55.4 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.166 1.387 . . . . 0.0 109.734 173.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.0 p -111.56 169.43 8.82 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.965 0.906 . . . . 0.0 112.308 171.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -58.72 -29.38 66.65 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.37 -0.831 . . . . 0.0 112.702 171.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -72.0 -45.85 59.42 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.888 0.875 . . . . 0.0 111.268 171.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.2 m -56.0 -44.43 78.62 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.814 1.246 . . . . 0.0 110.939 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.8 tp -73.7 -39.51 64.3 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.736 0.815 . . . . 0.0 112.577 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -60.38 -38.93 85.47 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.551 -0.718 . . . . 0.0 111.463 172.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -71.91 -16.03 62.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.299 1.04 . . . . 0.0 113.253 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -87.39 -42.25 12.98 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.252 0.933 . . . . 0.0 112.101 169.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -79.6 -17.56 53.6 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -174.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -8.28 45.44 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -72.0 -20.08 61.77 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.565 0.746 . . . . 0.0 112.791 170.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -92.82 -13.6 28.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.871 1.268 . . . . 0.0 112.848 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.94 -166.43 24.35 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.697 1.618 . . . . 0.0 112.659 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.39 136.78 56.93 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.882 1.273 . . . . 0.0 113.829 -174.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.9 mt -109.96 130.92 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.919 1.688 . . . . 0.0 109.711 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -72.53 -49.21 34.39 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.033 1.333 . . . . 0.0 110.964 170.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -166.14 147.82 6.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.675 1.99 . . . . 0.0 109.268 -173.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.32 148.89 46.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.37 1.468 . . . . 0.0 110.229 174.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.5 m -149.35 158.21 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.368 1.467 . . . . 0.0 111.097 -177.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 80.9 t -128.21 138.28 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.527 1.531 . . . . 0.0 107.175 168.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.1 mm -85.26 92.94 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 C-N-CA 124.07 0.948 . . . . 0.0 108.934 -171.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 p -122.31 117.01 25.08 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 129.971 3.308 . . . . 0.0 108.2 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -39.37 134.32 1.22 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 -165.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -56.14 -24.82 43.39 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -106.25 -43.22 4.85 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.994 1.717 . . . . 0.0 112.593 -173.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.3 p -114.66 -11.28 12.36 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 125.347 1.459 . . . . 0.0 114.723 -172.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 60.61 15.94 6.14 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.503 1.921 . . . . 0.0 113.425 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 135.46 46.53 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.054 -1.029 . . . . 0.0 110.589 173.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.7 t -78.28 143.01 37.39 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.082 -1.011 . . . . 0.0 112.923 -175.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.4 mtt85 -93.16 1.37 57.17 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.309 1.444 . . . . 0.0 113.096 172.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.15 10.91 70.64 Favored Glycine 0 N--CA 1.474 1.231 0 C-N-CA 124.895 1.236 . . . . 0.0 114.664 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.401 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 15.9 p90 -150.75 168.67 23.7 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -178.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -154.63 -171.56 21.58 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 127.767 2.603 . . . . 0.0 112.493 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -139.05 150.68 46.04 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.817 1.647 . . . . 0.0 111.099 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.51 132.14 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.307 1.443 . . . . 0.0 108.468 171.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.1 m -115.26 128.12 55.93 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.643 0.777 . . . . 0.0 109.008 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 74.7 mmm -94.51 145.19 24.97 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.472 1.109 . . . . 0.0 110.993 -175.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -66.65 -24.72 66.33 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -138.97 149.37 44.65 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.51 1.124 . . . . 0.0 112.681 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -59.1 -32.69 70.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.711 1.205 . . . . 0.0 112.314 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.32 90.6 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.09 0.859 . . . . 0.0 112.119 175.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 m -69.33 -31.05 69.26 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.184 -0.947 . . . . 0.0 112.396 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.37 -38.74 63.1 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.489 -0.757 . . . . 0.0 112.704 172.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -61.22 -39.69 91.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.57 0.748 . . . . 0.0 111.5 171.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -65.91 -32.43 73.93 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.937 0.895 . . . . 0.0 112.602 173.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.2 -33.17 59.28 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.6 p -76.66 -5.2 46.9 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.09 -25.63 67.81 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -124.38 108.18 29.47 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.246 1.418 . . . . 0.0 109.615 172.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -79.21 -14.61 13.22 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.073 2.515 . . . . 0.0 113.209 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -138.14 72.79 45.77 Favored Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 124.901 1.28 . . . . 0.0 111.362 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.04 -10.16 15.28 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 124.369 3.38 . . . . 0.0 116.385 -169.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.3 mm 65.43 55.59 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 125.442 1.497 . . . . 0.0 111.285 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.7 mt -67.24 120.65 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.437 1.095 . . . . 0.0 110.365 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.66 22.87 8.77 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.755 2.022 . . . . 0.0 114.223 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.6 26.44 9.91 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.693 1.14 . . . . 0.0 115.46 172.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -148.4 138.28 22.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.047 1.424 . . . . 0.0 110.382 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.85 104.64 0.71 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.605 0.762 . . . . 0.0 112.612 -173.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.12 171.76 13.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.56 1.144 . . . . 0.0 111.325 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -136.55 112.77 9.82 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.382 1.873 . . . . 0.0 108.808 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 84.2 t -115.13 127.56 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.517 1.527 . . . . 0.0 110.27 -171.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -165.85 155.49 12.25 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.594 1.158 . . . . 0.0 113.014 171.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.3 mt -53.78 137.05 39.0 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 167.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -38.88 -84.43 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.283 0 N-CA-C 116.631 2.085 . . . . 0.0 116.631 -169.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -24.88 1.67 0.0 OUTLIER 'General case' 0 CA--C 1.577 1.981 1 N-CA-C 125.114 5.228 . . . . 0.0 125.114 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 mt -87.16 -74.3 0.44 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 124.939 3.518 . . . . 0.0 112.182 -169.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.44 10.98 64.84 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 125.402 1.477 . . . . 0.0 112.679 171.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.23 148.45 44.75 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.578 1.551 . . . . 0.0 112.65 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -106.98 154.06 40.54 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 125.887 1.675 . . . . 0.0 112.107 -173.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -69.63 130.46 19.55 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.14 2.56 . . . . 0.0 109.326 173.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -164.3 130.78 3.05 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.644 1.177 . . . . 0.0 109.671 -169.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.0 t -162.4 156.08 20.81 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.195 1.398 . . . . 0.0 111.179 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -128.59 15.75 6.5 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.942 1.697 . . . . 0.0 111.588 169.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 23.2 m -144.5 156.43 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 125.68 1.592 . . . . 0.0 111.902 -172.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.231 1.812 . . . . 0.0 111.42 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.834 1 C3'-C2'-C1' 105.276 4.196 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.232 0 P-O3'-C3' 123.49 3.159 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 111.877 3.677 . 0.195 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.462 0 O4'-C1'-N19 111.452 3.252 . 0.543 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 1 C3'-C2'-C1' 106.004 5.004 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.448 0 O4'-C1'-N19 110.937 2.737 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 111.906 -0.478 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.4 p -80.83 -18.86 46.08 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.6 m -137.15 -50.54 0.64 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.995 1.718 . . . . 0.0 110.587 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -74.28 130.88 40.55 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.775 0.83 . . . . 0.0 111.422 174.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.98 159.03 26.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.969 1.708 . . . . 0.0 111.354 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -145.97 148.63 36.29 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 125.943 1.697 . . . . 0.0 110.113 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -79.01 -15.1 13.23 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 123.467 2.778 . . . . 0.0 114.407 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t 73.93 123.14 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 127.799 2.439 . . . . 0.0 111.594 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.3 t -139.9 128.22 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.645 1.578 . . . . 0.0 108.436 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.98 -150.11 22.13 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.044 1.306 . . . . 0.0 112.646 -175.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.9 p -83.67 -7.53 59.47 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -176.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -68.41 132.26 46.71 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.121 0.968 . . . . 0.0 111.655 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -160.89 164.75 31.01 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.282 1.833 . . . . 0.0 110.617 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.2 p 67.79 -28.98 0.15 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 129.165 2.986 . . . . 0.0 114.442 -173.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.5 mtp -57.14 -15.07 4.75 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.448 1.499 . . . . 0.0 113.544 172.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -120.44 6.65 10.61 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.977 1.711 . . . . 0.0 113.019 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.4 p -143.31 -25.31 0.59 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.393 1.477 . . . . 0.0 114.192 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -84.9 123.74 30.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.705 1.202 . . . . 0.0 110.333 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 22.4 mt -122.52 120.35 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 126.159 1.783 . . . . 0.0 108.881 -171.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -84.3 134.48 34.51 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.087 1.355 . . . . 0.0 107.772 168.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.6 t -135.88 92.68 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.919 0.888 . . . . 0.0 109.394 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -105.29 -175.42 24.27 Favored Glycine 0 N--CA 1.468 0.773 0 C-N-CA 123.239 0.447 . . . . 0.0 113.757 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.4 24.1 76.99 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 123.438 0.542 . . . . 0.0 113.393 -172.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.6 mt -78.99 152.41 76.95 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 125.181 1.392 . . . . 0.0 109.837 171.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -76.08 154.9 37.84 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.277 1.985 . . . . 0.0 109.847 169.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -68.34 -5.14 17.17 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -172.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -97.54 -3.77 39.11 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.6 m -68.72 142.49 54.98 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.291 1.437 . . . . 0.0 110.571 176.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -116.76 169.66 9.2 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.471 1.109 . . . . 0.0 112.524 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -57.46 -41.69 81.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.746 1.219 . . . . 0.0 112.61 -175.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -71.58 -34.39 69.9 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.525 0.73 . . . . 0.0 112.765 175.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.1 m -57.18 -39.14 74.75 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.585 1.154 . . . . 0.0 110.96 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.0 tp -77.29 -40.01 45.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.652 0.781 . . . . 0.0 112.809 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.44 -39.59 80.26 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.693 -0.63 . . . . 0.0 111.777 173.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -74.43 -11.71 60.31 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.426 1.49 . . . . 0.0 112.932 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -92.76 -42.42 9.59 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.082 0.855 . . . . 0.0 112.028 169.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -77.29 -15.61 59.35 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -6.4 30.58 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 178.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -74.9 -19.4 60.16 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.491 -0.755 . . . . 0.0 112.79 169.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -94.0 -15.31 24.98 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.679 1.191 . . . . 0.0 113.081 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.23 -145.68 15.77 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 124.876 1.226 . . . . 0.0 112.773 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -93.17 134.87 34.9 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.285 1.034 . . . . 0.0 112.558 -169.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -111.25 128.95 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.179 1.392 . . . . 0.0 110.243 -175.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -71.75 -49.39 39.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.902 1.281 . . . . 0.0 111.041 169.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -165.59 147.59 7.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.71 2.004 . . . . 0.0 108.902 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.35 143.37 29.05 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.015 1.326 . . . . 0.0 110.659 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.9 m -150.85 159.68 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.244 1.418 . . . . 0.0 111.615 -171.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.7 t -125.35 131.06 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.952 1.701 . . . . 0.0 108.011 169.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.421 HG13 ' CE2' ' A' ' 78' ' ' TYR . 46.9 mm -76.73 116.92 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.954 0.902 . . . . 0.0 111.025 -169.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.7 p -125.25 141.64 51.97 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 127.078 2.151 . . . . 0.0 109.008 175.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -64.45 138.17 58.27 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 -169.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.1 ptt85 -56.69 -24.02 46.05 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -177.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -110.98 -47.99 3.16 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.985 1.714 . . . . 0.0 112.211 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.4 p -101.01 -14.58 17.78 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.697 1.199 . . . . 0.0 113.969 -169.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 59.98 10.55 2.23 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.668 1.987 . . . . 0.0 114.145 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.57 141.44 51.82 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.009 -1.057 . . . . 0.0 110.537 173.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.1 t -71.71 143.93 49.48 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.364 -0.835 . . . . 0.0 112.395 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -89.02 -2.75 58.73 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.416 1.486 . . . . 0.0 113.767 173.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.82 14.22 80.0 Favored Glycine 0 N--CA 1.474 1.169 0 C-N-CA 123.955 0.788 . . . . 0.0 114.045 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.421 ' CE2' HG13 ' A' ' 67' ' ' ILE . 14.2 p90 -150.45 163.16 39.09 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.109 1.364 . . . . 0.0 113.644 176.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.08 -175.34 14.69 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 126.661 2.077 . . . . 0.0 112.955 174.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -130.46 147.35 52.15 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 125.948 1.699 . . . . 0.0 110.623 174.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.8 t -137.44 130.23 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.659 1.584 . . . . 0.0 108.19 174.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -117.45 126.27 52.34 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.559 0.744 . . . . 0.0 109.048 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 76.8 mmm -94.16 145.45 24.69 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.467 1.107 . . . . 0.0 111.313 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -67.86 -21.02 65.19 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -150.07 151.09 32.67 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.367 1.467 . . . . 0.0 110.925 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -55.5 -32.14 62.61 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.56 1.144 . . . . 0.0 112.069 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.55 -22.67 66.15 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.0 m -85.48 -29.26 24.43 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.422 -0.798 . . . . 0.0 112.001 173.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.12 -37.94 57.44 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.109 -0.994 . . . . 0.0 112.488 173.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.33 -30.71 69.7 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.238 1.015 . . . . 0.0 112.172 171.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -75.07 -26.92 59.71 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 173.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.5 -25.35 45.63 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.5 p -77.31 -2.85 36.94 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -64.27 -24.93 67.83 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.165 1.386 . . . . 0.0 114.69 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -129.64 107.15 17.11 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.036 1.335 . . . . 0.0 110.156 171.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.84 -18.0 11.92 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.198 2.599 . . . . 0.0 112.971 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -134.57 68.34 72.22 Favored Pre-proline 0 CA--C 1.554 1.12 0 C-N-CA 125.388 1.475 . . . . 0.0 111.653 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.52 -8.98 16.14 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 124.474 3.449 . . . . 0.0 116.93 -169.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 63.79 56.92 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 125.625 1.57 . . . . 0.0 111.178 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.0 mt -72.74 123.53 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.022 -1.049 . . . . 0.0 109.359 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t0 65.38 12.89 8.45 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.96 1.704 . . . . 0.0 113.857 172.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.41 39.22 4.27 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.458 1.504 . . . . 0.0 114.918 175.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -155.09 141.53 18.71 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.024 1.329 . . . . 0.0 109.069 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -64.42 101.53 0.45 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.3 0.571 . . . . 0.0 111.662 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.35 175.2 10.47 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.45 1.1 . . . . 0.0 111.184 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -150.04 99.22 2.8 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.962 1.705 . . . . 0.0 108.468 -171.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.4 t -106.84 124.37 62.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.447 1.499 . . . . 0.0 110.007 -169.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -163.25 155.23 17.81 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.258 1.023 . . . . 0.0 113.334 175.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.4 mt -54.93 144.83 21.75 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.629 0.772 . . . . 0.0 109.678 169.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -45.8 -86.69 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.342 0 N-CA-C 116.482 2.031 . . . . 0.0 116.482 -171.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -27.09 3.64 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.029 1 N-CA-C 124.523 5.009 . . . . 0.0 124.523 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.5 mt -89.26 -74.23 0.48 Allowed 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 124.755 3.434 . . . . 0.0 112.223 -169.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.03 11.89 61.44 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.439 1.495 . . . . 0.0 112.837 172.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.39 133.52 56.17 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.407 1.483 . . . . 0.0 111.782 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.96 150.43 45.37 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 124.663 1.185 . . . . 0.0 112.47 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -76.37 143.05 24.49 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.463 2.775 . . . . 0.0 111.016 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.93 17.29 0.15 Allowed 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.7 m -81.62 96.0 7.36 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.143 1.377 . . . . 0.0 109.719 -174.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -85.9 -6.53 59.06 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -172.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.4 p -161.6 137.41 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.637 1.975 . . . . 0.0 109.748 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.543 1.937 . . . . 0.0 112.394 -174.43 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 1 C3'-C2'-C1' 105.795 4.773 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 0 O4'-C1'-N19 111.819 3.619 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.083 0 C5'-C4'-C3' 109.938 -3.708 . 0.583 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.543 0 O5'-C5'-C4' 113.952 2.68 . 0.526 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.219 0 C5'-C4'-C3' 111.082 -2.945 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 C3'-C2'-C1' 103.895 2.661 . 0.1 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.5 p -85.35 -10.76 55.92 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.8 t -163.8 177.01 8.98 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.891 2.076 . . . . 0.0 110.48 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -65.58 155.55 35.43 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.976 1.31 . . . . 0.0 113.429 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.26 171.84 18.44 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.801 1.64 . . . . 0.0 111.618 -176.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -138.98 147.47 53.97 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 125.852 1.661 . . . . 0.0 110.135 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.36 141.53 32.01 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.354 2.702 . . . . 0.0 111.855 -175.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.8 m -148.33 153.32 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 126.625 1.97 . . . . 0.0 109.515 176.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -143.03 160.09 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 125.267 1.427 . . . . 0.0 110.938 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.05 99.78 0.8 Allowed Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.211 0.91 . . . . 0.0 112.362 -177.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.9 p -169.02 -39.24 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.593 1.557 . . . . 0.0 112.447 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -68.89 129.43 39.93 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.507 1.123 . . . . 0.0 111.373 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -66.25 140.86 58.17 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.792 1.237 . . . . 0.0 112.226 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.9 p 67.05 -27.21 0.12 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 129.373 3.069 . . . . 0.0 115.528 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 48.9 ttm -55.67 -23.73 30.05 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.313 1.445 . . . . 0.0 114.425 -173.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -123.56 11.18 9.18 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.854 1.262 . . . . 0.0 113.683 -176.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.0 p -135.64 -25.06 1.31 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.173 1.389 . . . . 0.0 113.81 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -89.46 130.6 35.78 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.864 1.666 . . . . 0.0 110.879 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.9 mt -128.49 118.75 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 126.461 1.904 . . . . 0.0 108.706 -170.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -84.03 134.4 34.63 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.711 1.204 . . . . 0.0 107.883 168.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.8 t -135.95 92.9 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.873 0.869 . . . . 0.0 109.685 -173.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.463 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -103.99 -175.02 25.57 Favored Glycine 0 N--CA 1.47 0.907 0 C-N-CA 123.393 0.52 . . . . 0.0 114.002 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.71 15.0 73.18 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 123.808 0.718 . . . . 0.0 113.908 -174.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 98.2 mt -70.92 145.86 92.29 Favored Pre-proline 0 C--O 1.241 0.619 0 C-N-CA 124.923 1.289 . . . . 0.0 110.149 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.07 143.24 35.73 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.233 1.956 . . . . 0.0 108.991 169.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -60.3 -17.12 40.39 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -82.58 -3.01 55.39 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.8 m -67.66 126.52 29.64 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.921 1.288 . . . . 0.0 109.575 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.6 p -94.64 166.64 11.92 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.999 0.904 . . . . 0.0 112.571 173.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -53.87 -36.73 62.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.002 1.321 . . . . 0.0 111.937 173.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -82.29 -29.79 30.95 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.241 1.016 . . . . 0.0 112.809 177.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -62.36 -43.24 99.28 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.869 0.868 . . . . 0.0 110.139 173.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.49 -39.94 81.12 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.137 0.575 . . . . 0.0 112.28 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -58.76 -38.83 79.32 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.716 -0.615 . . . . 0.0 111.711 173.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -75.75 -10.66 59.62 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.747 1.219 . . . . 0.0 113.519 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -92.14 -41.13 10.64 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.224 0.92 . . . . 0.0 111.93 168.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -78.86 -14.11 59.42 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -174.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -8.65 49.33 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -73.99 -18.26 60.88 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.858 0.863 . . . . 0.0 112.938 170.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -94.64 -10.75 30.89 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.698 1.199 . . . . 0.0 113.16 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.66 -160.54 23.82 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.631 1.586 . . . . 0.0 112.73 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -72.28 125.01 26.27 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.593 1.157 . . . . 0.0 112.757 -172.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.8 mt -92.61 127.07 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.54 1.136 . . . . 0.0 109.858 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -85.07 -34.87 22.15 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.232 1.813 . . . . 0.0 111.663 176.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -164.81 147.7 8.54 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.864 2.066 . . . . 0.0 108.903 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.81 133.82 15.98 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.213 1.005 . . . . 0.0 110.536 172.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.2 m -151.11 158.92 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.272 1.429 . . . . 0.0 111.633 -172.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.0 t -121.95 133.46 68.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.093 1.757 . . . . 0.0 108.219 170.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.454 HG13 ' CE2' ' A' ' 78' ' ' TYR . 36.9 mm -75.75 127.92 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.634 0.774 . . . . 0.0 110.479 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.0 p -140.42 141.72 35.49 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.635 1.974 . . . . 0.0 109.816 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.31 138.25 57.69 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -176.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -61.31 -17.78 55.38 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 -175.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -125.26 -22.97 4.25 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -176.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.1 p -116.38 -16.03 10.9 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.273 1.429 . . . . 0.0 114.086 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 59.46 20.36 8.76 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.078 1.751 . . . . 0.0 113.249 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.97 137.95 49.56 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.165 -0.96 . . . . 0.0 110.314 175.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.8 m -75.58 141.72 42.85 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.85 0.86 . . . . 0.0 113.06 -172.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -90.96 -2.9 57.66 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.16 3.5 87.35 Favored Glycine 0 N--CA 1.475 1.268 0 C-N-CA 124.739 1.161 . . . . 0.0 114.331 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.463 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 15.2 p90 -149.4 163.46 37.7 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.257 1.423 . . . . 0.0 113.897 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.53 -173.79 13.6 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 126.649 2.071 . . . . 0.0 112.873 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -130.11 145.61 51.71 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 125.983 1.713 . . . . 0.0 110.624 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -135.89 136.62 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.432 1.493 . . . . 0.0 108.306 173.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -124.62 134.9 52.77 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.805 1.242 . . . . 0.0 108.291 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 87.4 mmm -106.88 139.82 40.68 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.452 1.101 . . . . 0.0 110.952 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -66.26 -19.3 65.78 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -175.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -137.41 149.37 46.87 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.33 1.452 . . . . 0.0 111.349 172.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.07 -39.77 69.64 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.369 1.068 . . . . 0.0 112.246 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.4 -25.4 65.03 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.565 -0.709 . . . . 0.0 112.573 -176.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.1 m -75.4 -29.57 59.83 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.151 -0.968 . . . . 0.0 112.254 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.46 -35.4 60.89 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.316 -0.865 . . . . 0.0 111.893 169.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.33 -42.91 96.63 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.224 0.609 . . . . 0.0 111.336 169.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -63.68 -34.37 77.7 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.748 0.819 . . . . 0.0 112.736 172.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.7 -35.1 67.56 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.6 p -77.13 -4.84 46.55 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -62.31 -26.15 68.26 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -124.98 107.22 28.42 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 125.337 1.455 . . . . 0.0 109.839 173.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.44 -15.54 13.97 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 123.056 2.504 . . . . 0.0 113.188 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -135.54 72.5 64.0 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.912 1.285 . . . . 0.0 112.111 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.43 -11.83 14.25 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 124.33 3.354 . . . . 0.0 116.491 -171.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.9 mm 63.96 56.54 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 125.678 1.591 . . . . 0.0 111.297 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.3 mt -69.23 118.15 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 121.035 -1.041 . . . . 0.0 110.062 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.48 21.75 8.85 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.543 1.937 . . . . 0.0 114.641 175.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.84 32.72 5.53 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.749 1.166 . . . . 0.0 115.787 171.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -152.42 141.98 21.76 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 118.738 1.269 . . . . 0.0 109.936 171.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.32 101.62 0.45 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.595 0.712 . . . . 0.0 111.971 -177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.69 166.97 22.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.491 1.116 . . . . 0.0 111.012 175.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -135.99 102.56 5.08 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.189 1.796 . . . . 0.0 108.223 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.6 t -107.62 125.86 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.378 1.471 . . . . 0.0 110.039 -170.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -163.89 155.7 16.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.328 1.051 . . . . 0.0 113.162 174.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -54.27 141.24 30.43 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.438 0.695 . . . . 0.0 109.4 168.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -41.53 -82.94 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.363 0 N-CA-C 116.305 1.965 . . . . 0.0 116.305 -174.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -29.01 2.54 0.0 OUTLIER 'General case' 0 CA--C 1.577 1.999 1 N-CA-C 124.683 5.068 . . . . 0.0 124.683 -178.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.3 mt -87.37 -71.63 0.55 Allowed 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 124.818 3.463 . . . . 0.0 112.041 -169.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.87 12.92 62.36 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.361 1.458 . . . . 0.0 112.586 170.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.18 144.65 54.87 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.135 1.374 . . . . 0.0 113.076 -174.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -85.61 160.21 53.88 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 126.022 1.729 . . . . 0.0 112.399 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.74 139.07 49.66 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 124.107 3.205 . . . . 0.0 111.828 169.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -155.81 125.43 6.37 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.227 1.011 . . . . 0.0 110.658 -173.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 41.1 p -144.84 172.42 13.04 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 127.14 2.176 . . . . 0.0 110.661 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -139.33 152.31 47.09 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 125.68 1.592 . . . . 0.0 111.224 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 98.3 t -72.65 129.46 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.369 1.068 . . . . 0.0 110.001 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.065 1.746 . . . . 0.0 111.81 -177.446 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 1 O4'-C1'-N19 114.654 6.454 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.103 1 O4'-C1'-N19 112.72 4.52 . 0.22 5q . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.359 0 C3'-C2'-C1' 104.259 3.066 . 0.617 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 O4'-C1'-N19 110.972 2.772 . 0.601 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.928 2 C3'-C2'-C1' 106.139 5.154 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C3'-C2'-C1' 104.344 3.16 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.578 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 t -162.86 164.38 26.04 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.444 1.498 . . . . 0.0 111.206 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.9 p -144.97 159.77 42.4 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.426 1.89 . . . . 0.0 111.161 -173.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -157.82 146.44 19.24 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.178 1.391 . . . . 0.0 111.459 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -166.49 -38.98 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.211 1.804 . . . . 0.0 112.453 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -143.28 151.14 54.25 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 126.706 2.002 . . . . 0.0 109.288 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -66.72 133.59 32.26 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.513 2.808 . . . . 0.0 111.104 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.1 m -96.13 1.98 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -169.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 p -166.33 140.91 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.028 1.331 . . . . 0.0 111.202 -174.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.31 3.37 70.32 Favored Glycine 0 N--CA 1.473 1.162 0 C-N-CA 124.75 1.167 . . . . 0.0 115.509 171.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 p -87.15 -38.61 16.27 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.988 1.315 . . . . 0.0 114.012 -170.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -146.7 142.81 28.22 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.513 1.925 . . . . 0.0 110.102 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -93.46 -0.34 56.47 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.851 1.26 . . . . 0.0 114.166 -175.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.5 p -142.77 -46.93 0.32 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.114 1.765 . . . . 0.0 113.075 -173.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 53.8 ttm -53.69 -25.22 17.3 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -174.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -120.39 10.96 11.34 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.099 1.36 . . . . 0.0 113.642 -176.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.9 p -134.51 -27.31 1.35 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.444 1.498 . . . . 0.0 113.59 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HE2' ' CE1' ' A' ' 80' ' ' PHE . 88.4 tttt -88.51 130.11 35.3 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.982 1.713 . . . . 0.0 110.704 176.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 mt -127.19 119.79 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 126.25 1.82 . . . . 0.0 108.797 -170.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -83.87 137.32 33.74 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.88 1.272 . . . . 0.0 108.189 168.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.7 t -136.71 92.88 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.971 0.909 . . . . 0.0 109.609 -176.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.1 -174.72 26.47 Favored Glycine 0 N--CA 1.469 0.877 0 C-N-CA 123.136 0.398 . . . . 0.0 113.604 176.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.17 16.44 75.14 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 123.767 0.699 . . . . 0.0 114.182 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -74.33 150.42 87.29 Favored Pre-proline 0 C--O 1.241 0.623 0 C-N-CA 125.44 1.496 . . . . 0.0 110.44 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.21 152.22 44.7 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.302 2.001 . . . . 0.0 109.494 169.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -66.87 -9.01 33.21 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 -171.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -93.33 -4.14 52.18 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m -67.81 140.22 56.62 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.006 1.322 . . . . 0.0 110.265 175.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.1 m -115.8 168.91 9.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.42 1.088 . . . . 0.0 112.187 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -57.15 -36.18 70.42 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.402 1.081 . . . . 0.0 113.149 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -70.37 -39.91 74.33 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.285 0.634 . . . . 0.0 111.83 173.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -59.08 -43.36 91.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.2 1.4 . . . . 0.0 110.692 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.5 tp -74.45 -37.35 63.29 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -59.07 -41.16 87.29 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.592 0.633 . . . . 0.0 111.413 173.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -66.4 -34.03 77.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.003 0.921 . . . . 0.0 112.74 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -72.26 -30.33 64.74 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.367 -0.833 . . . . 0.0 113.126 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -86.43 -7.21 58.62 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -173.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -65.92 -18.99 65.71 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.373 0.988 . . . . 0.0 113.035 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -72.41 -15.68 61.84 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.359 1.063 . . . . 0.0 113.55 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -98.61 -12.82 20.75 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.466 1.106 . . . . 0.0 113.17 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.7 -156.96 22.36 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.509 1.528 . . . . 0.0 113.06 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -75.31 126.98 32.12 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.059 1.344 . . . . 0.0 112.687 -172.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.5 mt -99.9 126.94 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.933 1.293 . . . . 0.0 109.592 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -81.62 -44.37 17.31 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.933 1.693 . . . . 0.0 110.597 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -164.94 151.97 10.9 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.538 1.935 . . . . 0.0 109.318 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.7 143.88 26.74 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.769 1.228 . . . . 0.0 110.884 175.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 m -151.63 157.48 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.784 1.633 . . . . 0.0 111.317 -173.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.2 t -126.51 132.86 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.219 1.407 . . . . 0.0 107.519 169.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.9 mm -80.19 109.83 15.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 123.782 0.833 . . . . 0.0 111.026 -169.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.0 p -124.98 140.14 53.18 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.999 2.12 . . . . 0.0 109.451 177.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.49 142.26 58.01 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -170.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -58.59 -22.58 56.47 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -131.26 -21.71 2.58 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -172.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.0 p -111.51 -17.14 13.14 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.419 1.488 . . . . 0.0 113.696 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 60.4 11.81 3.13 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.313 1.845 . . . . 0.0 113.987 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.81 136.94 49.1 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.918 -1.113 . . . . 0.0 110.57 174.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.9 t -73.43 144.69 46.23 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.396 -0.815 . . . . 0.0 111.755 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -90.5 3.62 53.43 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 170.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.0 14.91 68.42 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 124.257 0.932 . . . . 0.0 114.321 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -149.94 163.09 39.0 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.099 1.36 . . . . 0.0 114.094 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.58 -172.15 14.95 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 127.053 2.263 . . . . 0.0 112.794 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CE1' ' HE2' ' A' ' 36' ' ' LYS . 25.1 m-85 -133.97 149.73 51.24 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.817 1.647 . . . . 0.0 111.023 175.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.4 t -136.77 136.27 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.814 1.645 . . . . 0.0 108.178 172.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.8 m -121.71 135.47 54.95 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.168 0.987 . . . . 0.0 108.57 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 87.8 mmm -106.3 146.2 30.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.498 1.119 . . . . 0.0 111.257 -174.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -71.61 -14.52 62.09 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -140.96 151.21 44.0 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.306 1.443 . . . . 0.0 110.904 170.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -49.27 -47.32 46.8 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.052 0.941 . . . . 0.0 112.457 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.37 -24.41 65.69 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.723 -0.61 . . . . 0.0 112.352 -171.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.6 m -75.44 -29.63 59.74 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.143 -0.973 . . . . 0.0 112.77 174.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.17 -34.7 49.53 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.153 -0.967 . . . . 0.0 111.879 169.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -63.59 -37.34 86.97 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.214 1.006 . . . . 0.0 111.413 172.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -66.43 -33.25 75.3 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.338 1.055 . . . . 0.0 112.936 170.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.63 64.26 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.6 p -74.91 -6.05 47.07 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.69 -27.34 69.15 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -120.76 104.49 42.02 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 125.163 1.385 . . . . 0.0 109.477 170.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.34 -18.59 12.36 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.927 2.418 . . . . 0.0 113.035 -178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -131.15 69.71 82.31 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 124.605 1.162 . . . . 0.0 112.245 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -80.2 -9.72 13.89 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 124.479 3.452 . . . . 0.0 116.596 -171.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.7 mm 64.11 55.94 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.696 1.598 . . . . 0.0 111.138 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.1 mt -71.59 124.71 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.049 -1.032 . . . . 0.0 109.456 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.6 t0 64.85 13.72 8.72 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.872 1.669 . . . . 0.0 113.728 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.91 36.85 5.39 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.371 1.463 . . . . 0.0 115.061 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.2 ttt85 -153.05 143.69 22.72 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.461 1.131 . . . . 0.0 109.534 170.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -62.86 101.5 0.27 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.544 0.688 . . . . 0.0 111.739 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.42 174.48 11.52 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.587 1.155 . . . . 0.0 111.24 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -145.8 94.32 2.47 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.013 1.725 . . . . 0.0 108.622 -173.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 99.3 t -102.7 125.05 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.954 1.702 . . . . 0.0 109.626 -171.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -163.25 155.06 17.62 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.182 0.993 . . . . 0.0 113.095 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -54.2 141.16 30.27 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.383 0.673 . . . . 0.0 109.487 168.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -42.18 -84.93 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.334 0 N-CA-C 116.557 2.058 . . . . 0.0 116.557 -171.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -26.17 2.66 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.928 1 N-CA-C 124.842 5.127 . . . . 0.0 124.842 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.9 mt -87.69 -74.68 0.44 Allowed 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 124.868 3.485 . . . . 0.0 112.106 -169.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.21 9.17 70.91 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 125.272 1.415 . . . . 0.0 112.854 172.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.11 127.03 29.53 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.006 1.322 . . . . 0.0 111.478 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -87.16 157.4 53.82 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 124.063 0.945 . . . . 0.0 113.08 -173.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -53.25 129.97 36.09 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 124.524 3.483 . . . . 0.0 112.195 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.37 62.52 1.16 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.948 0.899 . . . . 0.0 110.57 -173.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 41.0 p -70.24 167.92 16.91 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.265 1.826 . . . . 0.0 111.433 175.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -161.47 -54.63 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.464 1.106 . . . . 0.0 113.568 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 35.0 m -138.63 12.19 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 125.882 1.673 . . . . 0.0 113.056 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.719 2.008 . . . . 0.0 110.809 -174.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.065 1 C3'-C2'-C1' 105.412 4.347 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.251 0 O4'-C1'-N19 111.978 3.778 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 0 O4'-C1'-N19 111.265 3.065 . 0.662 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.663 0 O5'-C5'-C4' 114.086 2.776 . 0.671 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 1 C3'-C2'-C1' 105.126 4.029 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 C3'-C2'-C1' 103.992 2.769 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -84.99 -3.83 58.93 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -173.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.2 m -65.66 134.66 53.73 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.867 1.667 . . . . 0.0 111.106 -177.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -66.64 152.44 45.36 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.067 0.947 . . . . 0.0 112.659 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.32 166.89 31.78 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.127 1.371 . . . . 0.0 112.264 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -139.9 156.22 70.73 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 127.207 2.203 . . . . 0.0 109.544 -176.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -74.69 64.9 5.78 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 124.221 3.281 . . . . 0.0 112.181 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.75 -2.32 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.799 1.64 . . . . 0.0 113.019 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t -74.64 131.73 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.245 1.418 . . . . 0.0 110.09 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.92 -179.91 49.19 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.8 1.191 . . . . 0.0 112.735 -174.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 t -164.16 167.73 19.8 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.91 1.284 . . . . 0.0 111.553 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -116.78 -0.81 12.2 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.751 1.62 . . . . 0.0 113.128 175.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -161.13 171.54 18.35 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.768 2.027 . . . . 0.0 112.001 -174.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.8 p -95.7 -7.63 36.86 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.236 1.414 . . . . 0.0 114.564 -174.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.8 mtp -64.42 -17.93 64.25 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.971 1.259 . . . . 0.0 113.473 -173.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -113.9 5.43 16.21 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.409 1.484 . . . . 0.0 113.489 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.1 p -135.18 -23.09 1.52 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.921 1.288 . . . . 0.0 113.974 -176.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -89.2 128.29 35.8 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.273 1.429 . . . . 0.0 110.765 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.0 mt -126.4 118.75 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.993 1.717 . . . . 0.0 108.825 -169.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -79.62 138.55 37.46 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.705 1.202 . . . . 0.0 108.785 169.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.2 t -137.68 94.5 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.781 0.832 . . . . 0.0 109.186 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.413 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -101.61 -176.08 28.42 Favored Glycine 0 N--CA 1.468 0.779 0 C-N-CA 122.966 0.317 . . . . 0.0 112.87 174.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.01 17.87 72.18 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 123.354 0.502 . . . . 0.0 113.521 -173.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.3 mt -74.59 141.52 76.34 Favored Pre-proline 0 C--O 1.239 0.552 0 C-N-CA 124.265 1.026 . . . . 0.0 109.205 173.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.7 146.53 67.06 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 121.968 1.779 . . . . 0.0 109.187 170.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -61.63 -13.79 25.27 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 -171.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -90.76 -5.55 55.54 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 115.105 1.521 . . . . 0.0 115.105 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.2 m -67.21 130.92 44.64 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.613 1.165 . . . . 0.0 109.323 169.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.2 m -105.51 171.01 7.56 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.31 1.044 . . . . 0.0 111.796 175.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -58.1 -34.95 70.74 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.104 -0.997 . . . . 0.0 112.882 176.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -72.35 -36.85 68.9 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 173.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.6 m -60.43 -42.76 96.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.21 1.404 . . . . 0.0 110.278 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.4 tp -73.2 -39.54 65.48 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.676 0.791 . . . . 0.0 112.59 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -59.42 -40.59 87.19 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.536 0.607 . . . . 0.0 111.451 173.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -67.0 -31.38 71.9 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.178 0.991 . . . . 0.0 112.567 -175.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -74.36 -32.13 62.66 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.27 -0.894 . . . . 0.0 113.112 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -84.43 -6.94 59.43 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -173.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -66.4 -17.11 64.59 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.496 1.044 . . . . 0.0 113.234 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -74.32 -15.47 60.95 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.565 1.146 . . . . 0.0 113.341 177.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -97.94 -13.23 21.28 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.419 1.088 . . . . 0.0 113.36 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.41 -145.32 17.41 Favored Glycine 0 C--N 1.339 0.726 0 C-N-CA 124.251 0.929 . . . . 0.0 113.346 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -88.24 119.81 29.01 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.174 0.99 . . . . 0.0 111.844 -170.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 52.1 mt -91.75 130.4 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.378 1.071 . . . . 0.0 109.273 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -89.93 -37.87 14.07 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.609 1.564 . . . . 0.0 111.648 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -166.42 152.91 8.98 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.314 1.846 . . . . 0.0 109.378 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.45 143.27 24.66 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.583 1.153 . . . . 0.0 110.77 174.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.7 m -151.45 158.9 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.627 1.571 . . . . 0.0 111.454 -173.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.45 133.55 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.796 1.638 . . . . 0.0 107.433 169.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.6 mm -81.7 124.82 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.628 0.771 . . . . 0.0 112.17 -168.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.8 p -143.4 143.18 31.53 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 127.119 2.168 . . . . 0.0 110.432 -175.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.41 141.91 55.71 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 175.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -67.81 -14.77 63.23 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -173.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -129.73 -27.17 2.37 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.792 1.237 . . . . 0.0 114.194 -174.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.5 p -105.87 -16.1 14.74 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.553 1.541 . . . . 0.0 113.594 174.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 61.51 13.14 4.9 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.279 1.832 . . . . 0.0 113.929 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 129.2 39.27 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.172 -0.955 . . . . 0.0 112.222 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 m -75.2 131.97 40.79 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.08 -1.012 . . . . 0.0 111.874 -174.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -82.03 0.65 39.38 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.62 8.53 80.13 Favored Glycine 0 N--CA 1.475 1.239 0 C-N-CA 124.543 1.068 . . . . 0.0 114.194 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.413 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 13.4 p90 -148.02 164.32 34.16 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.822 1.249 . . . . 0.0 113.868 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.19 -169.93 15.05 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 127.081 2.277 . . . . 0.0 112.637 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -134.17 150.65 51.1 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.753 1.621 . . . . 0.0 110.873 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.2 t -134.25 132.88 55.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.715 1.606 . . . . 0.0 108.085 170.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.6 m -114.95 132.51 56.54 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.8 mmm -101.44 144.53 30.12 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.347 1.059 . . . . 0.0 110.407 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -64.45 -17.55 63.92 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -153.16 150.32 28.94 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.037 1.335 . . . . 0.0 111.946 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -57.48 -31.97 66.52 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.211 1.004 . . . . 0.0 112.669 177.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.39 -23.49 65.58 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.9 m -86.48 -35.01 19.88 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.467 -0.77 . . . . 0.0 111.686 174.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.74 -37.43 76.47 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.141 -0.974 . . . . 0.0 112.722 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -55.39 -44.18 75.86 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 124.11 0.964 . . . . 0.0 111.827 169.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -66.57 -36.35 82.44 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.65 0.659 . . . . 0.0 112.411 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.51 -35.49 73.23 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.2 p -76.74 -10.09 59.13 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -70.55 -25.73 63.23 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -176.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -110.69 103.31 54.22 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 124.838 1.255 . . . . 0.0 109.827 170.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.0 -15.82 12.87 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.028 2.485 . . . . 0.0 113.076 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -137.67 75.66 43.27 Favored Pre-proline 0 CA--C 1.551 1.006 0 C-N-CA 124.525 1.13 . . . . 0.0 112.438 -173.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -80.13 -13.38 12.65 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.128 3.219 . . . . 0.0 116.154 -173.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.1 mm 63.5 57.37 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 125.652 1.581 . . . . 0.0 111.269 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.3 mt -71.69 119.83 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.21 1.004 . . . . 0.0 110.019 -174.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.1 24.43 12.75 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.507 1.923 . . . . 0.0 113.997 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.53 30.69 7.93 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.55 1.071 . . . . 0.0 115.697 170.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -153.13 140.11 19.21 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.107 1.363 . . . . 0.0 109.013 174.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -64.45 103.36 0.65 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.321 0.581 . . . . 0.0 112.271 -176.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.67 162.17 28.47 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.94 0.896 . . . . 0.0 110.266 169.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -134.79 99.45 4.32 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.847 1.659 . . . . 0.0 107.482 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.9 t -103.88 128.59 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.939 1.696 . . . . 0.0 110.337 -169.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -166.27 160.28 15.79 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.844 1.258 . . . . 0.0 112.641 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.4 mt -53.21 149.09 7.48 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.541 0.737 . . . . 0.0 110.37 169.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -46.9 -92.81 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -175.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -27.29 5.25 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.104 1 N-CA-C 124.582 5.031 . . . . 0.0 124.582 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.9 mt -89.62 -74.34 0.48 Allowed 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 124.539 3.336 . . . . 0.0 112.645 -168.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -85.01 14.12 50.76 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.386 1.469 . . . . 0.0 113.06 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.52 149.93 33.01 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.429 1.892 . . . . 0.0 112.953 -177.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -111.42 154.62 43.68 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.187 1.395 . . . . 0.0 112.953 -172.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.19 136.05 23.8 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 123.024 2.482 . . . . 0.0 108.905 168.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 -137.6 87.33 2.25 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.763 1.225 . . . . 0.0 109.852 -174.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 34.8 p -59.94 -16.65 31.6 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.821 1.649 . . . . 0.0 114.623 -172.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -78.95 -5.39 53.63 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.254 1.422 . . . . 0.0 114.726 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.5 m -141.93 157.73 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 125.188 1.395 . . . . 0.0 112.043 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 . . . . . 0 C--O 1.253 1.267 0 C-N-CA 126.044 1.738 . . . . 0.0 111.316 -178.927 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 1 O4'-C1'-N19 112.719 4.519 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.043 1 O4'-C1'-N19 113.12 4.92 . 0.053 5q . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 1 C5'-C4'-C3' 109.292 -4.139 . 0.821 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C3'-C2'-C1' 99.22 -2.533 . 0.465 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 C3'-C2'-C1' 105.011 3.901 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C5'-C4'-C3' 111.161 -2.893 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.983 -0.447 . . . . 0.0 111.983 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.2 t -163.58 147.26 10.34 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.02 1.328 . . . . 0.0 111.375 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.5 p -69.8 -12.81 61.91 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.767 1.227 . . . . 0.0 113.124 174.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -80.81 -10.76 59.69 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.78 1.232 . . . . 0.0 113.356 174.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.47 145.4 50.98 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.017 0.927 . . . . 0.0 112.316 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -147.29 161.11 37.54 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 126.096 1.758 . . . . 0.0 110.466 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -65.6 39.8 0.13 Allowed 'Trans proline' 0 CA--C 1.549 1.261 1 C-N-CA 125.415 4.076 . . . . 0.0 116.829 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.5 m -78.22 42.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 126.045 1.738 . . . . 0.0 112.484 -176.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 p -157.88 143.07 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.816 2.046 . . . . 0.0 110.065 -170.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.06 3.84 90.2 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.2 0.905 . . . . 0.0 113.848 -173.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.8 p -76.23 -12.97 60.18 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.513 1.525 . . . . 0.0 114.088 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 58.64 49.63 10.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.862 1.665 . . . . 0.0 112.087 172.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -145.04 154.27 42.33 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.966 1.706 . . . . 0.0 111.867 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.0 p -80.69 -11.02 59.69 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.498 1.919 . . . . 0.0 114.961 -168.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 57.0 ttm -53.68 -24.08 13.4 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.736 1.214 . . . . 0.0 114.072 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -119.54 11.16 12.0 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.97 1.308 . . . . 0.0 113.939 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.5 p -135.31 -24.49 1.4 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.687 1.195 . . . . 0.0 114.128 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -88.51 132.02 34.67 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.648 1.179 . . . . 0.0 110.995 175.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.9 mt -129.21 122.03 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.56 1.944 . . . . 0.0 109.15 -169.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -81.29 135.62 35.72 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.338 1.455 . . . . 0.0 108.14 168.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.8 t -137.12 94.48 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.948 0.899 . . . . 0.0 109.463 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.26 -175.74 26.36 Favored Glycine 0 N--CA 1.47 0.947 0 C-N-CA 123.185 0.422 . . . . 0.0 113.467 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.76 13.61 75.16 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.087 0.851 . . . . 0.0 114.024 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.22 147.78 85.8 Favored Pre-proline 0 C--O 1.24 0.58 0 C-N-CA 125.306 1.442 . . . . 0.0 110.67 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -59.13 148.53 85.23 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.677 2.251 . . . . 0.0 111.384 167.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -64.32 -11.42 32.03 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -97.61 -7.44 31.12 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 115.165 1.542 . . . . 0.0 115.165 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.3 m -64.03 136.31 57.19 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.389 1.076 . . . . 0.0 109.438 169.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.3 m -113.44 168.13 10.0 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.022 0.929 . . . . 0.0 112.016 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -59.01 -34.94 72.44 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.333 1.053 . . . . 0.0 112.905 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -65.51 -43.74 89.16 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.413 1.085 . . . . 0.0 111.722 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -62.35 -45.04 94.97 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.179 1.392 . . . . 0.0 110.74 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.29 -35.84 66.19 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.592 0.757 . . . . 0.0 112.696 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -59.03 -44.14 91.7 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.769 0.713 . . . . 0.0 110.804 170.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -70.01 -37.65 75.73 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.782 0.833 . . . . 0.0 112.093 -174.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -64.06 -33.37 75.6 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -83.53 -6.42 59.44 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -67.11 -16.89 64.61 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.758 1.163 . . . . 0.0 113.115 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -69.2 -15.93 63.5 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.045 0.938 . . . . 0.0 113.38 173.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -99.31 -13.84 19.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.675 1.19 . . . . 0.0 113.272 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.85 -162.44 24.96 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.17 1.367 . . . . 0.0 112.864 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -71.57 149.08 46.03 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.099 1.36 . . . . 0.0 112.211 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.9 mt -129.4 137.0 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.276 1.43 . . . . 0.0 109.935 -170.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.69 -50.74 10.16 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.175 0.99 . . . . 0.0 111.463 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -168.61 153.39 6.12 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.874 1.67 . . . . 0.0 109.458 -171.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.0 155.62 45.44 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.838 1.255 . . . . 0.0 110.527 169.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.7 m -149.06 157.74 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.84 1.656 . . . . 0.0 110.8 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.3 t -125.68 132.44 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 168.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.6 mm -80.42 104.66 9.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.841 0.829 . . . . 0.0 110.809 -169.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -110.22 135.5 50.89 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 126.687 1.995 . . . . 0.0 108.3 169.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.459 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 31.2 t0 -53.66 123.65 12.86 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.812 0.845 . . . . 0.0 112.278 -175.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -68.58 1.53 3.08 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -114.07 -23.85 9.31 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.542 1.937 . . . . 0.0 114.006 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.6 p -139.22 -11.85 1.23 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.668 1.587 . . . . 0.0 115.107 -170.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 62.68 14.89 7.59 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.717 2.407 . . . . 0.0 113.791 -176.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.459 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -70.35 133.82 47.3 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.956 -1.09 . . . . 0.0 110.779 174.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.3 m -78.58 132.98 37.35 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.077 0.951 . . . . 0.0 111.78 -175.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -88.92 -4.39 58.47 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.46 11.99 76.56 Favored Glycine 0 N--CA 1.475 1.271 0 C-N-CA 124.016 0.817 . . . . 0.0 114.578 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -144.63 165.07 29.07 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.974 1.31 . . . . 0.0 113.813 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -149.41 -171.97 18.54 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 127.119 2.295 . . . . 0.0 112.514 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -134.69 150.98 50.68 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.745 1.618 . . . . 0.0 110.876 175.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.4 t -136.43 137.31 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.867 1.667 . . . . 0.0 108.427 174.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.8 m -121.59 125.32 46.45 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.619 0.767 . . . . 0.0 109.206 175.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 81.5 mmm -90.45 144.99 25.27 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.299 1.04 . . . . 0.0 111.443 -174.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -71.72 -16.93 62.24 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -144.82 149.87 36.17 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.861 1.264 . . . . 0.0 111.019 172.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -56.49 -36.67 69.39 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.253 1.021 . . . . 0.0 112.077 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.92 -17.79 62.07 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 m -80.16 -33.01 38.79 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.288 -0.882 . . . . 0.0 111.208 170.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.22 -36.53 74.61 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.003 -1.06 . . . . 0.0 111.922 170.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -62.76 -21.62 65.97 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -85.58 -39.96 16.78 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.177 0.991 . . . . 0.0 111.796 171.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.48 84.45 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 16.1 p -74.44 -9.67 58.82 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -68.94 -22.42 64.14 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -179.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -120.26 101.24 47.06 Favored Pre-proline 0 CA--C 1.544 0.75 0 C-N-CA 124.701 1.201 . . . . 0.0 109.829 172.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.43 -15.4 15.76 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.294 2.662 . . . . 0.0 112.783 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -137.48 71.76 51.85 Favored Pre-proline 0 CA--C 1.554 1.12 0 C-N-CA 125.165 1.386 . . . . 0.0 111.75 -176.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.36 -11.13 16.04 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 124.287 3.324 . . . . 0.0 116.253 -171.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.9 mm 64.46 54.54 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 125.738 1.615 . . . . 0.0 111.424 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.7 mt -70.54 127.02 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.46 1.104 . . . . 0.0 109.819 -177.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 59.09 20.46 8.37 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.813 1.645 . . . . 0.0 114.085 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.19 30.69 10.6 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.497 1.046 . . . . 0.0 114.605 174.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -149.52 140.94 23.29 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.603 1.161 . . . . 0.0 109.902 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.12 102.66 0.31 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.622 0.725 . . . . 0.0 112.227 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.81 168.06 20.27 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.733 1.213 . . . . 0.0 110.723 172.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -136.7 103.69 5.29 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.824 1.65 . . . . 0.0 108.475 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 90.2 t -108.09 128.2 63.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.511 1.524 . . . . 0.0 110.369 -169.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -163.88 156.72 17.92 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.809 1.244 . . . . 0.0 112.613 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.7 mt -53.83 138.98 34.7 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.573 0.749 . . . . 0.0 110.137 169.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -39.16 -79.53 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.337 0 N-CA-C 116.267 1.951 . . . . 0.0 116.267 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -30.81 0.26 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.935 1 N-CA-C 124.224 4.898 . . . . 0.0 124.224 -177.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.5 mt -85.69 -66.38 0.91 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 124.784 3.447 . . . . 0.0 111.808 -169.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -85.16 21.8 11.44 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.365 1.459 . . . . 0.0 113.033 171.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.4 120.04 12.65 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.086 1.355 . . . . 0.0 112.296 -173.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -80.91 151.37 70.53 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.174 1.389 . . . . 0.0 112.499 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.33 129.38 17.95 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.216 2.611 . . . . 0.0 109.214 172.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -162.01 133.23 5.21 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.869 1.268 . . . . 0.0 109.992 -169.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -163.11 148.41 11.63 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.316 1.447 . . . . 0.0 111.078 -172.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -87.48 -20.52 26.44 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.456 1.102 . . . . 0.0 113.46 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.0 p -169.38 141.45 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.057 1.343 . . . . 0.0 111.174 -170.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 . . . . . 0 C--O 1.254 1.298 0 C-N-CA 126.475 1.91 . . . . 0.0 111.308 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.878 1 O4'-C1'-N19 113.14 4.94 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 O4'-C1'-N19 111.762 3.562 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 C5'-C4'-C3' 110.247 -3.502 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 O4'-C1'-N19 111.46 3.26 . 0.786 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.303 0 C3'-C2'-C1' 105.098 3.998 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 O5'-C5'-C4' 114.022 2.73 . 0.199 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -163.29 165.22 24.45 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.594 1.558 . . . . 0.0 111.15 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.3 t -164.44 154.12 13.91 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.976 1.71 . . . . 0.0 111.39 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -99.89 5.23 45.36 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.739 1.616 . . . . 0.0 113.036 170.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.74 167.73 12.75 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.004 1.322 . . . . 0.0 113.44 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -155.95 162.2 27.91 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 126.123 1.769 . . . . 0.0 110.804 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -59.55 146.69 94.46 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.728 2.952 . . . . 0.0 114.024 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.0 m -119.19 42.57 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.831 1.652 . . . . 0.0 110.871 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -158.62 149.85 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.484 1.914 . . . . 0.0 110.003 -170.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.61 -2.72 62.72 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.877 1.227 . . . . 0.0 113.522 -171.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.3 p -161.55 150.27 15.79 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.674 1.99 . . . . 0.0 110.22 176.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.8 mtp85 -148.69 125.01 10.88 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.258 1.423 . . . . 0.0 109.687 -175.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -166.8 167.2 15.23 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.401 1.48 . . . . 0.0 111.12 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.6 p -60.3 -30.39 69.45 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.549 1.539 . . . . 0.0 112.978 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.7 mtp -58.99 -13.34 6.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.837 1.255 . . . . 0.0 113.591 173.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -122.04 -2.56 9.16 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.477 1.511 . . . . 0.0 113.982 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.7 p -143.34 -19.21 0.62 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -174.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -93.32 128.87 39.52 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.809 1.244 . . . . 0.0 110.423 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.1 mt -126.83 119.12 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.44 1.496 . . . . 0.0 109.587 -168.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -79.43 138.63 37.68 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.521 1.128 . . . . 0.0 108.21 168.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.5 t -137.01 89.62 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.117 0.967 . . . . 0.0 109.502 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -92.74 -179.05 40.65 Favored Glycine 0 N--CA 1.467 0.735 0 C-N-CA 123.122 0.391 . . . . 0.0 113.09 172.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.04 24.03 75.94 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 123.969 0.795 . . . . 0.0 113.711 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.94 143.19 73.88 Favored Pre-proline 0 C--O 1.241 0.63 0 C-N-CA 124.381 1.072 . . . . 0.0 109.402 171.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.78 142.11 62.09 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.595 1.53 . . . . 0.0 108.624 169.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -60.29 -12.76 9.86 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 -168.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -91.53 0.06 57.55 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.663 1.585 . . . . 0.0 114.896 175.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.3 m -66.57 135.05 53.58 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.084 1.354 . . . . 0.0 109.566 173.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.5 m -110.12 168.94 9.06 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.18 0.992 . . . . 0.0 111.847 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -58.58 -33.61 70.16 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.099 -1.001 . . . . 0.0 112.967 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -70.21 -41.51 73.55 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.307 0.643 . . . . 0.0 111.787 172.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 m -57.95 -44.19 86.83 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.236 1.415 . . . . 0.0 110.666 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.62 -37.03 65.53 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -60.09 -41.89 93.45 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.688 -0.632 . . . . 0.0 111.169 172.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -66.33 -38.78 88.45 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.922 0.889 . . . . 0.0 112.122 -176.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -67.02 -31.25 71.67 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -86.63 -6.21 58.92 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -67.15 -17.86 65.03 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.646 1.112 . . . . 0.0 113.284 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -72.01 -19.12 61.91 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.281 1.032 . . . . 0.0 113.004 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -93.56 -16.49 24.36 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.612 1.165 . . . . 0.0 113.46 -175.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.21 -146.34 18.31 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 124.586 1.089 . . . . 0.0 113.262 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -86.57 125.92 34.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.26 1.024 . . . . 0.0 112.061 -171.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.9 mt -100.16 130.93 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.793 1.237 . . . . 0.0 109.472 -177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -87.01 -44.09 11.85 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.692 1.597 . . . . 0.0 110.494 177.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -164.41 153.22 13.09 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.451 1.901 . . . . 0.0 109.622 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.73 144.73 28.49 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.861 1.264 . . . . 0.0 110.687 174.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 m -151.29 156.67 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 125.511 1.524 . . . . 0.0 111.487 -173.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.7 t -124.88 136.59 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.392 1.477 . . . . 0.0 107.525 169.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.6 mm -82.99 98.7 5.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-O 121.845 0.831 . . . . 0.0 111.335 -168.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.9 p -122.39 129.0 51.65 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 127.276 2.23 . . . . 0.0 110.286 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.49 ' HA ' ' C5 ' ' B' ' 12' ' ' ' C' . 33.5 t70 -56.29 141.31 41.97 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 -169.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -70.27 -14.26 62.52 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.003 -0.999 . . . . 0.0 113.636 -172.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -120.77 -25.45 5.45 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.342 1.857 . . . . 0.0 114.58 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.5 p -122.52 -13.35 8.01 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -176.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 59.99 11.55 2.7 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.839 2.055 . . . . 0.0 114.807 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 141.66 56.8 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.086 -1.009 . . . . 0.0 111.965 177.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.2 m -89.68 129.41 36.11 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 120.632 -1.292 . . . . 0.0 112.207 -170.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -77.18 -9.74 58.96 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.25 3.26 79.08 Favored Glycine 0 N--CA 1.474 1.188 0 C-N-CA 124.81 1.195 . . . . 0.0 114.175 -174.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.404 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 33.0 p90 -138.82 162.67 34.19 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.41 -171.89 14.66 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 127.812 2.625 . . . . 0.0 112.054 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -136.49 151.61 49.63 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.694 1.598 . . . . 0.0 110.999 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -136.7 134.96 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.617 1.567 . . . . 0.0 108.318 172.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 83.5 m -116.69 131.28 56.99 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 173.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 89.4 mmm -99.9 146.26 26.86 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.564 1.146 . . . . 0.0 110.274 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -68.21 -17.52 64.34 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -152.65 150.79 29.85 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.614 1.166 . . . . 0.0 112.601 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -58.47 -30.53 67.04 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.996 1.319 . . . . 0.0 112.933 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.96 -25.65 61.09 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 176.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.7 m -81.32 -35.85 30.47 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.439 -0.788 . . . . 0.0 110.967 169.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.85 -37.94 85.42 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.74 -42.29 99.6 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.005 0.82 . . . . 0.0 111.483 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -64.86 -33.95 77.23 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.932 0.893 . . . . 0.0 112.004 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.42 -37.27 68.67 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.712 0.805 . . . . 0.0 113.046 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.32 -6.35 59.38 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -63.83 -17.09 62.78 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.489 1.516 . . . . 0.0 114.684 -174.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -131.22 113.9 15.97 Favored Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 126.259 1.823 . . . . 0.0 109.099 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.92 -16.52 12.63 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.95 2.434 . . . . 0.0 113.447 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -132.59 70.1 79.48 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 124.923 1.289 . . . . 0.0 112.154 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.83 -11.71 16.63 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.973 3.115 . . . . 0.0 116.546 -173.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mm 65.43 60.74 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 125.97 1.708 . . . . 0.0 111.281 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.4 mt -72.75 118.32 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.122 -0.986 . . . . 0.0 110.021 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 t70 60.45 18.37 8.13 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.867 2.067 . . . . 0.0 114.67 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.11 32.47 4.96 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.745 1.164 . . . . 0.0 115.833 172.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.25 141.32 21.27 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.67 1.235 . . . . 0.0 109.513 172.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -62.56 110.89 1.84 Allowed 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.602 -0.686 . . . . 0.0 111.116 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -84.55 173.21 10.99 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.661 1.584 . . . . 0.0 111.301 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -143.81 97.73 3.11 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.887 1.675 . . . . 0.0 108.95 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 87.7 t -108.75 129.33 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.141 1.376 . . . . 0.0 110.269 -169.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -159.12 160.53 35.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.091 0.957 . . . . 0.0 113.453 170.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.7 mt -65.23 115.51 5.62 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 169.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -19.39 -75.13 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 127.734 2.414 . . . . 0.0 117.158 -169.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -34.88 2.5 0.0 OUTLIER 'General case' 0 CA--C 1.574 1.9 1 N-CA-C 123.866 4.765 . . . . 0.0 123.866 -176.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.3 mt -84.07 -69.68 0.62 Allowed 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 124.842 3.474 . . . . 0.0 112.029 -168.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -89.45 25.05 11.58 Favored Glycine 0 N--CA 1.472 1.095 0 C-N-CA 125.451 1.501 . . . . 0.0 112.462 170.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.06 138.44 54.39 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.687 1.195 . . . . 0.0 113.806 -169.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -98.36 150.68 36.96 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 125.651 1.581 . . . . 0.0 112.742 -175.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.96 150.88 38.99 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.631 2.888 . . . . 0.0 111.547 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -147.29 150.47 34.86 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.573 1.949 . . . . 0.0 109.475 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -161.1 150.98 17.22 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.134 1.373 . . . . 0.0 111.666 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -78.58 -10.9 59.9 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.451 1.1 . . . . 0.0 112.2 168.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 25.9 t 76.03 121.09 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 128.759 2.824 . . . . 0.0 110.812 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.323 1.849 . . . . 0.0 112.693 -175.357 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 2 O4'-C1'-N19 114.906 6.706 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 0 O4'-C4'-C3' 109.709 3.007 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 C5'-C4'-C3' 109.571 -3.953 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.281 1 O4'-C1'-N19 112.874 4.674 . 0.644 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.851 1 C5'-C4'-C3' 109.326 -4.116 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.49 ' C5 ' ' HA ' ' A' ' 69' ' ' ASP . . . . . . . . 0 C5'--C4' 1.542 2.494 0 C4'-C3'-C2' 99.972 -2.728 . 0.01 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 112.041 -0.423 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.1 t -163.13 165.14 24.92 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.447 1.499 . . . . 0.0 111.24 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -164.83 161.06 20.12 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.429 1.892 . . . . 0.0 110.747 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -71.68 112.71 8.02 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.095 0.958 . . . . 0.0 111.081 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.05 163.38 23.28 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.046 1.738 . . . . 0.0 111.481 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -72.11 144.54 87.53 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.784 0.834 . . . . 0.0 111.194 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.99 137.91 24.89 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.288 2.659 . . . . 0.0 111.648 -176.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.3 m -78.28 74.2 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.502 1.121 . . . . 0.0 110.621 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -145.14 153.2 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 126.203 1.801 . . . . 0.0 110.98 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.2 158.98 53.56 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.334 0.969 . . . . 0.0 113.982 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 t -168.08 -173.02 1.93 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.494 1.917 . . . . 0.0 110.276 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -64.21 147.5 52.22 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.423 1.489 . . . . 0.0 113.164 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 73.87 143.48 0.07 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 129.84 3.256 . . . . 0.0 115.618 174.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.6 p -80.48 -5.05 56.03 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.243 1.817 . . . . 0.0 114.203 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 37.8 mtt -51.99 -24.58 6.78 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.116 1.366 . . . . 0.0 113.64 175.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -107.53 -1.99 20.79 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.53 1.532 . . . . 0.0 113.84 -175.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.4 p -130.58 -22.12 2.74 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.748 1.219 . . . . 0.0 113.633 -174.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -86.43 126.05 34.12 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.361 1.064 . . . . 0.0 109.982 169.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.6 mt -125.73 119.64 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 126.01 1.724 . . . . 0.0 108.801 -169.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -80.64 139.57 36.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.491 1.516 . . . . 0.0 108.949 169.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.92 97.8 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.992 0.917 . . . . 0.0 109.375 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -107.71 -176.98 22.41 Favored Glycine 0 N--CA 1.471 0.975 0 C-N-CA 123.152 0.406 . . . . 0.0 113.26 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.94 16.4 74.69 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.168 0.89 . . . . 0.0 113.799 -174.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.6 mt -71.16 145.64 91.41 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 125.133 1.373 . . . . 0.0 109.744 174.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -71.28 149.42 57.25 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.001 1.8 . . . . 0.0 109.412 169.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -64.18 -9.41 16.72 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -170.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -92.68 -5.73 50.76 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -65.12 139.22 58.67 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.827 1.251 . . . . 0.0 109.957 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -113.58 168.79 9.47 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.63 1.172 . . . . 0.0 112.23 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -58.32 -32.68 68.7 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.966 0.906 . . . . 0.0 112.157 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -72.0 -45.07 62.28 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.462 1.105 . . . . 0.0 111.279 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.5 m -54.58 -45.3 73.54 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.856 1.262 . . . . 0.0 110.888 176.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 tp -74.92 -38.24 61.85 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -59.77 -43.02 94.53 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.773 0.715 . . . . 0.0 111.084 172.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -69.19 -37.23 78.02 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.252 1.021 . . . . 0.0 111.663 -174.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -66.59 -31.53 72.29 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.415 -0.803 . . . . 0.0 113.022 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -84.23 -8.43 59.05 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.21 -16.41 64.28 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.673 1.124 . . . . 0.0 113.193 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -72.95 -15.56 61.56 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.243 1.017 . . . . 0.0 113.229 175.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -98.34 -16.18 19.44 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.509 1.124 . . . . 0.0 113.28 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.33 -145.04 16.39 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 124.416 1.008 . . . . 0.0 113.493 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -92.52 132.47 36.8 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.469 1.107 . . . . 0.0 112.271 -169.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.9 mt -111.47 126.56 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.831 1.253 . . . . 0.0 109.893 -172.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -82.88 -44.76 15.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.028 1.731 . . . . 0.0 110.612 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -166.1 152.07 8.98 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.635 1.974 . . . . 0.0 109.211 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.16 147.3 29.3 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.79 1.236 . . . . 0.0 110.983 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.1 m -150.82 157.85 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.664 1.586 . . . . 0.0 111.422 -174.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.0 t -127.61 137.45 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.399 1.479 . . . . 0.0 107.299 168.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.0 mm -83.89 95.34 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 C-N-CA 124.268 1.027 . . . . 0.0 108.983 -169.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 p -123.74 116.77 23.57 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 129.367 3.067 . . . . 0.0 108.53 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -39.7 135.42 1.2 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -165.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -52.67 -24.4 8.46 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.043 1.337 . . . . 0.0 114.339 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -121.31 -43.36 2.42 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.172 1.789 . . . . 0.0 113.299 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.2 p -96.09 -15.76 21.98 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 61.09 13.45 4.69 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.639 1.976 . . . . 0.0 113.811 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.13 139.87 39.01 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.905 -1.122 . . . . 0.0 110.961 173.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.7 t -76.11 144.45 40.67 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.222 -0.924 . . . . 0.0 113.267 -173.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -88.83 -0.14 57.08 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.232 1.413 . . . . 0.0 113.157 169.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.39 8.19 68.58 Favored Glycine 0 N--CA 1.475 1.242 0 C-N-CA 124.998 1.285 . . . . 0.0 114.911 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -147.98 168.96 20.94 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.943 1.297 . . . . 0.0 114.122 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.27 -173.02 22.09 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 127.888 2.661 . . . . 0.0 112.326 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -138.26 150.58 46.81 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.741 1.616 . . . . 0.0 111.236 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.1 t -136.6 133.74 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.818 1.647 . . . . 0.0 108.3 172.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.5 m -114.91 128.64 56.41 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.046 0.938 . . . . 0.0 108.524 174.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 80.1 mmm -96.35 145.09 25.92 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.288 1.035 . . . . 0.0 110.74 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -69.81 -17.01 63.38 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -152.39 150.36 29.6 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.972 1.309 . . . . 0.0 111.068 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -58.91 -29.19 66.89 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.805 1.242 . . . . 0.0 112.768 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.1 -27.11 69.16 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.347 1.059 . . . . 0.0 113.578 173.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -85.66 -32.02 22.21 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.49 0.716 . . . . 0.0 111.754 175.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.91 -37.92 67.07 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 120.985 -1.072 . . . . 0.0 112.869 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -60.87 -33.97 73.9 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.967 0.907 . . . . 0.0 111.793 171.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -73.55 -33.12 64.54 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.719 0.808 . . . . 0.0 112.734 172.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.46 68.01 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.6 p -73.94 -7.0 50.73 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -65.92 -22.64 66.51 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -122.07 90.24 48.76 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 126.068 1.747 . . . . 0.0 110.15 175.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -66.26 -34.04 37.22 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.573 2.849 . . . . 0.0 112.748 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -122.11 79.0 43.03 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.506 1.123 . . . . 0.0 111.822 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -80.73 -15.54 10.76 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.997 3.131 . . . . 0.0 115.687 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mm 63.79 55.15 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.715 1.606 . . . . 0.0 111.024 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.8 mt -69.79 117.99 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 O-C-N 121.098 -1.002 . . . . 0.0 109.775 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.71 22.27 9.8 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.536 1.935 . . . . 0.0 114.47 176.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.28 35.43 5.0 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.627 1.108 . . . . 0.0 115.576 170.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.2 ttt85 -151.72 141.2 21.6 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.765 1.282 . . . . 0.0 110.394 169.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -64.64 102.79 0.6 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.727 0.775 . . . . 0.0 111.85 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.6 164.95 20.47 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.948 1.299 . . . . 0.0 111.54 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -130.11 103.88 7.0 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.662 1.985 . . . . 0.0 108.893 175.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.0 t -97.92 126.17 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.198 1.799 . . . . 0.0 109.06 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -163.25 159.67 23.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.186 0.994 . . . . 0.0 112.702 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.9 mt -53.8 148.53 9.98 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.604 0.762 . . . . 0.0 110.61 170.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -49.69 -94.44 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 125.79 1.636 . . . . 0.0 115.414 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -28.93 7.95 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.039 1 N-CA-C 124.672 5.064 . . . . 0.0 124.672 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.1 mt -86.18 -78.7 0.27 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 124.11 3.141 . . . . 0.0 112.372 -169.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -85.92 22.3 12.36 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 125.719 1.628 . . . . 0.0 112.931 173.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.27 150.84 48.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.432 1.893 . . . . 0.0 113.053 -174.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -135.74 135.71 22.33 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.32 1.048 . . . . 0.0 112.669 -169.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -69.22 144.13 55.84 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.787 2.991 . . . . 0.0 113.27 -169.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -110.19 2.07 19.11 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.127 1.771 . . . . 0.0 113.368 176.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 37.8 m -140.3 141.37 35.75 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.846 1.659 . . . . 0.0 110.391 -169.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -157.03 146.71 20.6 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.793 1.637 . . . . 0.0 110.758 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 58.8 t -145.29 123.23 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 126.045 1.738 . . . . 0.0 108.574 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.286 1.834 . . . . 0.0 111.483 -176.204 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 1 C3'-C2'-C1' 105.393 4.325 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 O4'-C1'-N19 111.69 3.49 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 0 C5'-C4'-C3' 110.171 -3.552 . 0.598 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.81 0 C3'-C2'-C1' 98.67 -3.145 . 0.354 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.548 1 C3'-C2'-C1' 106.285 5.316 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.425 0 O4'-C1'-N19 111.178 2.978 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 112.021 -0.432 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.1 t -163.24 177.62 8.87 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.504 1.521 . . . . 0.0 111.273 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -147.74 7.14 0.83 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.275 1.83 . . . . 0.0 113.209 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -158.65 142.15 15.06 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.818 1.247 . . . . 0.0 111.828 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.84 152.66 17.81 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.449 1.899 . . . . 0.0 110.762 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -146.11 159.76 45.05 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 125.513 1.525 . . . . 0.0 110.757 -177.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -66.41 54.28 0.38 Allowed 'Trans proline' 0 CA--C 1.549 1.257 1 C-N-CA 125.43 4.086 . . . . 0.0 115.573 179.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.2 p -156.98 120.86 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.958 1.703 . . . . 0.0 109.692 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 p -170.53 148.93 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 126.024 1.73 . . . . 0.0 110.228 -171.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.12 171.17 43.06 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 124.746 1.165 . . . . 0.0 114.308 174.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -67.67 -3.65 9.72 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.357 1.463 . . . . 0.0 114.393 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -66.94 -6.7 17.75 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.66 1.984 . . . . 0.0 115.253 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -140.95 144.74 35.31 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.247 1.819 . . . . 0.0 111.029 175.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.3 p -73.56 -13.55 61.05 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.293 1.437 . . . . 0.0 113.988 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 48.4 ttm -51.29 -29.95 16.51 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.998 1.719 . . . . 0.0 113.621 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -111.3 0.34 16.66 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.5 p -124.9 -18.91 5.39 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -85.89 125.33 33.25 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.869 1.268 . . . . 0.0 110.562 170.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.6 mt -126.52 119.32 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 126.28 1.832 . . . . 0.0 108.867 -170.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -82.71 135.88 34.89 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.135 1.374 . . . . 0.0 108.324 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -136.11 90.54 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.722 0.809 . . . . 0.0 109.68 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.435 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -98.37 -171.02 32.01 Favored Glycine 0 N--CA 1.468 0.792 0 C-N-CA 123.122 0.391 . . . . 0.0 113.308 175.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.14 7.51 82.07 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 123.839 0.733 . . . . 0.0 114.872 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.41 149.64 97.19 Favored Pre-proline 0 C--O 1.242 0.677 0 C-N-CA 125.544 1.538 . . . . 0.0 111.328 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.51 143.23 34.17 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.383 2.055 . . . . 0.0 108.659 168.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.06 -9.63 11.14 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -171.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -90.77 1.23 57.07 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.33 1.452 . . . . 0.0 114.804 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.0 m -69.61 134.08 48.35 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.936 1.294 . . . . 0.0 109.651 173.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.7 m -110.76 170.09 8.33 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.272 1.029 . . . . 0.0 112.075 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -56.97 -41.26 78.03 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.327 1.051 . . . . 0.0 112.161 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -71.39 -34.72 70.64 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.706 0.803 . . . . 0.0 112.313 175.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -58.54 -41.22 85.06 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.753 1.221 . . . . 0.0 110.803 176.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.2 tp -72.97 -40.15 65.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.61 0.764 . . . . 0.0 112.305 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -59.69 -38.14 80.74 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.692 -0.63 . . . . 0.0 111.862 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.4 -15.21 61.84 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.953 1.301 . . . . 0.0 113.374 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -90.98 -41.24 11.22 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.237 0.926 . . . . 0.0 112.529 170.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -77.72 -14.68 59.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -174.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -7.83 46.8 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -76.92 -17.39 58.95 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.824 0.85 . . . . 0.0 113.037 171.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -95.61 -11.88 26.53 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.584 1.154 . . . . 0.0 113.386 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.84 -149.07 20.24 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 125.003 1.287 . . . . 0.0 112.755 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -87.3 120.75 28.91 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.907 0.883 . . . . 0.0 112.277 -170.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -89.44 131.17 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.534 1.134 . . . . 0.0 109.608 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -85.26 -43.59 13.62 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.685 1.594 . . . . 0.0 110.078 172.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -161.39 147.62 14.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.59 1.956 . . . . 0.0 109.315 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.13 132.79 19.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.559 1.144 . . . . 0.0 110.221 174.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.8 m -151.19 157.51 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.045 1.338 . . . . 0.0 111.936 -170.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.4 t -115.85 137.16 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.148 1.779 . . . . 0.0 108.229 172.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.4 mm -74.91 104.98 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.489 0.662 . . . . 0.0 109.855 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.5 p -123.42 135.45 54.12 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 127.059 2.143 . . . . 0.0 108.941 177.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -60.83 138.08 58.16 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -173.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 35.9 ptt85 -61.93 -19.35 62.62 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.389 1.625 . . . . 0.0 115.389 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -115.18 -31.56 5.96 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.164 1.386 . . . . 0.0 113.589 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.6 p -113.64 -16.64 12.31 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.6 1.56 . . . . 0.0 114.185 -176.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 60.67 13.44 4.3 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.804 2.042 . . . . 0.0 114.012 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.72 132.32 45.19 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.036 -1.04 . . . . 0.0 110.89 176.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.3 t -71.1 139.87 50.48 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.332 -0.855 . . . . 0.0 111.27 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -90.64 2.23 56.08 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.68 9.39 66.47 Favored Glycine 0 N--CA 1.474 1.207 0 C-N-CA 124.567 1.08 . . . . 0.0 114.52 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.435 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 21.4 p90 -149.56 162.25 40.55 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.408 1.483 . . . . 0.0 113.982 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.05 -174.21 18.92 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 127.432 2.444 . . . . 0.0 112.521 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -133.92 146.98 51.02 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.909 1.684 . . . . 0.0 111.043 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.88 133.7 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 125.66 1.584 . . . . 0.0 108.182 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.8 m -118.59 130.51 55.93 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 172.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.5 mmm -99.92 148.15 24.79 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.279 1.032 . . . . 0.0 110.798 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -68.18 -18.34 64.57 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -154.06 150.17 27.93 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.933 1.293 . . . . 0.0 111.93 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -55.92 -32.42 63.76 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.471 1.509 . . . . 0.0 112.631 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.58 -21.93 63.57 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.8 m -86.58 -30.73 21.63 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.895 -1.128 . . . . 0.0 112.038 172.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.98 -35.77 56.95 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -64.61 -36.62 84.85 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.06 0.845 . . . . 0.0 111.691 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -67.36 -24.78 65.74 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.457 1.103 . . . . 0.0 113.142 172.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.74 -32.0 28.12 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.954 0.902 . . . . 0.0 113.33 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.1 p -78.79 -3.5 44.72 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -61.98 -26.89 68.48 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -177.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -129.56 111.28 17.68 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 125.628 1.571 . . . . 0.0 109.961 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.66 -15.92 15.09 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.918 2.412 . . . . 0.0 113.145 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -130.29 73.01 81.69 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.761 1.225 . . . . 0.0 112.415 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.59 -13.46 14.77 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.125 3.216 . . . . 0.0 116.094 -174.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 64.53 58.54 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 125.902 1.681 . . . . 0.0 111.268 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.2 mt -71.69 119.32 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 121.134 -0.979 . . . . 0.0 109.853 -175.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.4 t0 58.22 25.42 12.59 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.616 1.966 . . . . 0.0 114.047 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.14 32.97 7.14 Favored Glycine 0 CA--C 1.534 1.24 0 N-CA-C 115.583 0.993 . . . . 0.0 115.583 171.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -151.71 143.3 23.57 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 118.553 1.177 . . . . 0.0 109.597 170.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -61.79 103.46 0.35 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.45 0.643 . . . . 0.0 111.921 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.59 164.18 25.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.05 1.34 . . . . 0.0 110.778 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -132.06 98.59 4.47 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.364 1.866 . . . . 0.0 108.446 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.4 t -101.0 127.92 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.561 1.544 . . . . 0.0 109.824 -174.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -163.81 157.49 18.96 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.453 1.101 . . . . 0.0 112.585 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.06 147.44 29.57 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.6 -0.687 . . . . 0.0 109.781 169.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.25 -87.27 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -29.35 2.74 0.0 OUTLIER 'General case' 0 CA--C 1.577 2.015 1 N-CA-C 124.624 5.046 . . . . 0.0 124.624 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.1 mt -82.94 -74.62 0.35 Allowed 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 124.349 3.25 . . . . 0.0 112.231 -168.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -89.88 17.53 52.48 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 125.648 1.594 . . . . 0.0 112.507 169.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.0 153.15 44.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.176 1.391 . . . . 0.0 113.133 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -132.73 156.24 80.3 Favored Pre-proline 0 CA--C 1.551 1.006 0 C-N-CA 126.378 1.871 . . . . 0.0 112.137 -169.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -70.68 143.08 45.45 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.298 2.665 . . . . 0.0 111.552 -177.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -104.1 -3.59 24.3 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.767 1.627 . . . . 0.0 112.397 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 37.2 p -146.66 166.36 26.79 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.897 2.479 . . . . 0.0 110.605 -173.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -156.01 158.33 37.66 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.025 1.33 . . . . 0.0 111.371 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.7 p -166.28 -35.62 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 126.153 1.781 . . . . 0.0 112.802 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.617 1.567 . . . . 0.0 111.424 -178.687 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 1 O4'-C1'-N19 115.898 7.698 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.236 0 O4'-C1'-N19 112.184 3.984 . 0.082 5z . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.445 -3.255 . 0.358 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 O4'-C1'-N19 111.378 3.178 . 0.761 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.27 1 C3'-C2'-C1' 105.95 4.945 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 100.725 -1.975 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.5 m -127.41 7.33 6.39 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -170.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.0 m -69.75 139.48 53.32 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.473 1.509 . . . . 0.0 110.637 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -74.57 -0.82 18.96 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -175.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.86 169.75 22.05 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.998 2.119 . . . . 0.0 111.006 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -135.2 112.79 11.21 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.199 1.4 . . . . 0.0 109.471 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -61.24 135.76 60.22 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.657 2.904 . . . . 0.0 112.631 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.8 p -165.51 137.0 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.801 1.64 . . . . 0.0 109.894 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.7 m -148.25 144.47 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.658 1.583 . . . . 0.0 110.625 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.92 -176.82 48.76 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.56 1.076 . . . . 0.0 114.304 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.6 p -99.8 -0.46 39.78 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.44 1.496 . . . . 0.0 113.957 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -143.16 157.83 44.16 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.469 1.908 . . . . 0.0 111.217 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -154.83 170.8 20.81 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.811 1.644 . . . . 0.0 110.926 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.5 p -113.88 8.06 17.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.603 1.561 . . . . 0.0 113.992 -169.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 45.6 mtt -56.04 -11.56 1.13 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.593 1.557 . . . . 0.0 114.747 174.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -122.13 5.37 9.78 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.73 1.612 . . . . 0.0 113.243 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.3 p -139.78 -26.95 0.78 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -174.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -85.22 140.21 31.06 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.749 1.22 . . . . 0.0 110.782 170.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.6 mt -141.22 119.15 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.193 1.397 . . . . 0.0 110.035 -168.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.68 138.19 37.29 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.783 1.633 . . . . 0.0 107.967 167.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.6 t -138.11 92.89 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 123.933 0.893 . . . . 0.0 108.967 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.26 -176.8 27.63 Favored Glycine 0 N--CA 1.47 0.94 0 C-N-CA 123.201 0.429 . . . . 0.0 113.141 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.55 19.02 76.04 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 123.617 0.627 . . . . 0.0 113.284 -174.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.6 mt -73.06 144.52 85.08 Favored Pre-proline 0 C--O 1.241 0.635 0 C-N-CA 124.683 1.193 . . . . 0.0 109.447 173.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.94 145.5 56.27 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 121.794 1.663 . . . . 0.0 108.767 169.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -62.5 -11.58 17.1 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -170.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -93.76 -5.34 48.55 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.505 1.522 . . . . 0.0 115.049 176.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.4 m -67.61 131.89 46.49 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.403 1.081 . . . . 0.0 108.83 169.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.1 m -110.34 171.37 7.5 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.264 1.025 . . . . 0.0 112.361 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.29 -40.3 70.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.204 1.401 . . . . 0.0 112.033 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -69.76 -40.72 75.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.749 1.22 . . . . 0.0 112.493 174.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -57.64 -43.08 84.61 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.086 1.354 . . . . 0.0 110.632 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.5 tp -72.66 -38.28 67.68 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.734 0.814 . . . . 0.0 112.628 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -61.28 -38.64 87.48 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.559 -0.713 . . . . 0.0 111.627 172.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -76.26 -11.45 59.91 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.58 1.152 . . . . 0.0 113.109 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -89.97 -43.54 10.49 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.932 0.787 . . . . 0.0 112.171 169.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -77.83 -13.28 59.94 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -174.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -7.49 44.07 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -74.61 -18.84 60.5 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.676 0.79 . . . . 0.0 112.732 169.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -94.94 -13.11 25.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.815 1.246 . . . . 0.0 113.195 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 139.0 -145.54 16.86 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 124.854 1.216 . . . . 0.0 112.793 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -92.17 131.58 37.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.302 1.041 . . . . 0.0 112.436 -170.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.2 mt -106.05 132.86 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.273 1.429 . . . . 0.0 110.09 -176.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.45 -47.58 17.19 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.907 1.283 . . . . 0.0 110.793 169.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -165.31 149.27 8.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.663 1.985 . . . . 0.0 109.373 -175.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.27 141.37 28.54 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.017 1.327 . . . . 0.0 110.453 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.9 m -149.6 159.12 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.341 1.456 . . . . 0.0 111.764 -172.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.2 t -122.01 137.39 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.13 1.772 . . . . 0.0 108.54 169.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.8 mm -81.9 96.15 3.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 122.32 1.057 . . . . 0.0 110.75 -174.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.2 p -106.15 128.33 53.84 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 126.941 2.097 . . . . 0.0 107.28 168.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.412 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 22.3 t70 -50.39 131.42 24.47 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -170.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -73.69 8.23 2.02 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -174.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -126.0 -31.13 2.9 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.133 2.173 . . . . 0.0 113.184 177.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.9 p -127.03 -15.56 5.29 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 126.788 2.035 . . . . 0.0 114.633 -172.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 62.16 15.81 7.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.985 2.114 . . . . 0.0 113.931 -177.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.412 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -66.53 133.68 50.85 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.171 -0.955 . . . . 0.0 110.318 170.295 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 t -79.67 138.44 37.37 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.815 -1.178 . . . . 0.0 111.993 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -90.26 -4.42 57.18 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 173.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.69 15.13 78.57 Favored Glycine 0 N--CA 1.475 1.28 0 CA-C-N 119.405 1.002 . . . . 0.0 114.418 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -143.65 163.25 33.76 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.16 1.384 . . . . 0.0 113.503 173.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.31 -172.56 16.75 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 126.713 2.102 . . . . 0.0 112.807 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -133.32 149.34 51.91 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 125.773 1.629 . . . . 0.0 111.126 175.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.3 t -136.88 136.8 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 126.028 1.731 . . . . 0.0 107.943 173.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -123.88 132.4 53.74 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.949 0.9 . . . . 0.0 108.584 175.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 78.9 mmm -101.19 149.66 23.76 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.661 1.184 . . . . 0.0 111.206 -173.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -67.21 -21.86 65.74 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -154.54 152.48 30.11 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.84 1.256 . . . . 0.0 111.952 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -56.78 -30.21 63.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.762 1.225 . . . . 0.0 112.782 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.8 -20.12 63.46 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.8 m -88.67 -35.16 16.94 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.909 -1.119 . . . . 0.0 111.465 169.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.5 -34.67 74.65 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -63.1 -40.47 97.74 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.039 0.836 . . . . 0.0 111.776 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -67.21 -31.49 71.91 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.524 1.129 . . . . 0.0 111.905 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.0 65.35 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.841 0.856 . . . . 0.0 112.897 174.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.6 p -85.36 -4.17 59.07 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -58.41 -26.17 62.96 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.113 1.765 . . . . 0.0 114.258 -172.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -137.27 129.65 16.89 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 126.109 1.764 . . . . 0.0 109.58 169.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.79 -14.47 13.93 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.993 2.462 . . . . 0.0 114.09 -173.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -128.52 78.03 76.41 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 124.692 1.197 . . . . 0.0 112.31 -173.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -78.94 -15.38 13.2 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.066 3.177 . . . . 0.0 115.648 -175.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.1 mm 67.25 60.44 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 126.042 1.737 . . . . 0.0 111.402 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.8 mt -72.95 119.59 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.282 1.033 . . . . 0.0 110.529 -174.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 t70 61.57 18.22 9.29 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.87 2.068 . . . . 0.0 114.301 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.78 30.88 6.25 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.873 1.225 . . . . 0.0 115.413 174.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -152.19 141.07 21.07 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.346 1.458 . . . . 0.0 109.914 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -62.79 104.14 0.51 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.228 0.611 . . . . 0.0 112.323 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.21 165.45 20.45 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.59 1.156 . . . . 0.0 110.804 171.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -137.17 100.27 4.22 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.495 1.518 . . . . 0.0 109.148 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.0 t -93.68 129.6 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.936 1.294 . . . . 0.0 110.287 -171.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -144.83 143.08 30.44 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.098 1.359 . . . . 0.0 110.958 -173.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.16 32.52 0.08 Allowed 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.297 1.839 . . . . 0.0 114.48 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 69.46 -79.87 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 127.323 2.249 . . . . 0.0 110.954 -170.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.8 29.93 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.842 0 N-CA-C 120.043 3.349 . . . . 0.0 120.043 -176.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.1 mt -105.48 -85.3 0.49 Allowed 'General case' 0 C--N 1.353 0.747 0 CA-C-N 122.318 2.326 . . . . 0.0 110.659 -169.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.96 21.92 24.89 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.87 1.7 . . . . 0.0 113.137 172.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.23 155.61 27.88 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.473 1.509 . . . . 0.0 113.225 -177.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -132.82 153.98 81.25 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.623 1.569 . . . . 0.0 112.491 -170.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -70.85 162.43 42.64 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.346 2.697 . . . . 0.0 111.277 173.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -139.82 120.52 14.3 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.989 1.315 . . . . 0.0 110.401 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 35.7 p -105.22 -16.53 14.75 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.642 1.577 . . . . 0.0 113.817 -175.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -76.96 37.06 0.18 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.413 1.485 . . . . 0.0 113.384 -176.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.3 m -153.34 149.88 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 127.57 2.348 . . . . 0.0 110.26 -171.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 . . . . . 0 C--O 1.251 1.182 0 C-N-CA 126.594 1.957 . . . . 0.0 111.206 -178.851 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 1 O4'-C1'-N19 113.132 4.932 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 O4'-C1'-N19 111.99 3.79 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.24 1 C5'-C4'-C3' 109.119 -4.254 . 0.01 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 O4'-C1'-N19 111.082 2.882 . 0.624 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.46 0 C3'-C2'-C1' 104.961 3.846 . 0.053 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C3'-C2'-C1' 104.349 3.165 . 0.25 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 112.137 -0.385 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.9 m -88.92 -4.74 58.37 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 -177.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.4 t -164.06 160.12 21.3 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.925 2.09 . . . . 0.0 110.192 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -163.76 154.06 15.37 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.962 1.705 . . . . 0.0 112.195 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.6 159.52 30.59 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.012 1.725 . . . . 0.0 111.021 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.62 -23.5 0.68 Allowed Pre-proline 0 CA--C 1.553 1.085 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -68.7 118.56 5.74 Favored 'Trans proline' 0 C--N 1.357 0.979 0 CA-C-N 122.855 2.055 . . . . 0.0 111.358 175.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 80.1 t -146.23 119.77 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.556 1.542 . . . . 0.0 108.547 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.3 p -97.4 -4.64 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 124.664 1.185 . . . . 0.0 113.676 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.35 143.17 16.37 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.213 1.387 . . . . 0.0 112.474 178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.8 m -78.76 -7.96 58.29 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.99 163.03 9.36 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.279 2.232 . . . . 0.0 111.721 176.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -87.13 -162.78 0.83 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.919 1.688 . . . . 0.0 110.685 171.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.9 p -93.15 -106.58 0.12 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.23 1.412 . . . . 0.0 110.732 -175.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 41.8 ttm 65.46 -62.03 0.23 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.815 2.846 . . . . 0.0 113.183 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -76.84 -17.91 58.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.57 1.548 . . . . 0.0 113.022 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.0 p -102.66 -11.95 18.05 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.557 1.543 . . . . 0.0 113.459 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -93.9 127.34 39.61 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.65 0.78 . . . . 0.0 112.089 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.7 mt -128.31 122.54 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.312 1.445 . . . . 0.0 110.033 -168.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -85.34 139.08 31.86 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.478 1.511 . . . . 0.0 108.747 169.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -136.48 87.27 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.306 1.042 . . . . 0.0 109.592 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -93.27 -176.88 40.49 Favored Glycine 0 N--CA 1.468 0.828 0 C-N-CA 123.665 0.65 . . . . 0.0 113.38 174.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.84 14.05 75.55 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.661 1.124 . . . . 0.0 114.443 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.43 148.09 93.11 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 125.16 1.384 . . . . 0.0 110.376 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -72.35 144.53 41.31 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 122.145 1.896 . . . . 0.0 108.859 168.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -61.55 -13.75 24.09 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -169.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -85.51 -4.88 59.29 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.1 m -66.75 135.43 53.97 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.899 1.28 . . . . 0.0 109.59 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.9 m -113.47 169.18 9.15 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.18 0.992 . . . . 0.0 112.187 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -55.6 -37.59 68.32 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.657 1.183 . . . . 0.0 112.736 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -65.98 -45.42 81.73 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.072 0.949 . . . . 0.0 111.748 172.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.9 m -57.42 -43.74 84.08 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.437 1.495 . . . . 0.0 111.068 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.6 tp -74.54 -38.13 62.83 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -59.67 -40.46 87.89 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.529 0.604 . . . . 0.0 111.267 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.85 -14.79 61.58 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.631 1.173 . . . . 0.0 113.318 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -88.98 -42.36 11.83 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.175 0.898 . . . . 0.0 112.063 169.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -79.72 -15.89 56.68 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -6.32 34.91 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -75.84 -17.11 59.94 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.427 -0.795 . . . . 0.0 112.331 169.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -104.96 -20.3 13.58 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.373 1.469 . . . . 0.0 113.127 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.65 -166.27 34.53 Favored Glycine 0 C--N 1.34 0.77 0 N-CA-C 117.732 1.853 . . . . 0.0 117.732 -169.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -96.11 -24.65 16.2 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 117.713 2.486 . . . . 0.0 117.713 -167.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.0 mt 58.37 117.23 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 C-N-CA 129.337 3.055 . . . . 0.0 115.883 175.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -72.25 -45.03 61.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.326 1.45 . . . . 0.0 111.437 168.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -163.1 144.56 9.78 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.841 2.056 . . . . 0.0 108.696 -175.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.24 140.35 32.24 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.008 1.323 . . . . 0.0 110.008 172.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.1 m -153.36 159.86 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.191 1.396 . . . . 0.0 112.015 -170.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.7 t -128.1 132.18 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.476 1.51 . . . . 0.0 107.425 168.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.5 mm -81.76 114.05 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 124.063 0.945 . . . . 0.0 111.859 -168.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.2 p -122.36 131.51 53.93 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.659 1.984 . . . . 0.0 109.422 173.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.16 138.22 45.14 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -172.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -55.18 -26.35 38.4 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -116.91 -41.36 3.04 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.991 1.317 . . . . 0.0 112.792 -173.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.4 p -98.3 -15.92 19.58 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 60.74 15.34 5.77 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.171 1.788 . . . . 0.0 113.062 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.21 132.95 48.8 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.161 -0.962 . . . . 0.0 110.158 174.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.0 t -73.39 136.84 44.38 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.579 -0.7 . . . . 0.0 110.3 173.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -85.45 -2.2 57.86 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 172.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.16 11.72 83.23 Favored Glycine 0 N--CA 1.471 1.002 0 CA-C-N 119.031 0.832 . . . . 0.0 113.971 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -138.62 158.32 44.46 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.657 1.183 . . . . 0.0 114.06 174.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.4 -172.9 13.97 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 127.315 2.388 . . . . 0.0 112.207 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -135.8 151.93 50.57 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.446 1.498 . . . . 0.0 110.689 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.6 t -137.78 131.29 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 125.487 1.515 . . . . 0.0 107.983 169.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.6 m -115.12 129.42 56.67 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 78.2 mmm -96.3 149.63 21.46 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.508 1.123 . . . . 0.0 111.198 -175.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -70.67 -24.48 62.69 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.25 157.12 43.79 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.928 0.891 . . . . 0.0 113.247 174.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -60.15 -27.15 66.85 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.346 -0.846 . . . . 0.0 112.564 174.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.12 -19.92 64.04 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 174.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.41 -31.66 14.54 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.079 -1.013 . . . . 0.0 112.074 169.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.41 86.87 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.198 -0.938 . . . . 0.0 113.242 173.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.55 -37.62 88.19 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.51 0.595 . . . . 0.0 111.873 174.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -68.22 -34.01 75.46 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.69 1.196 . . . . 0.0 112.388 173.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.83 -29.85 61.19 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.8 p -83.13 -2.57 55.79 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -62.46 -25.5 68.02 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -175.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -126.92 110.64 22.03 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.307 1.443 . . . . 0.0 109.882 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -78.11 -15.79 14.39 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.01 2.473 . . . . 0.0 113.079 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -134.1 71.37 73.23 Favored Pre-proline 0 CA--C 1.554 1.127 0 C-N-CA 125.243 1.417 . . . . 0.0 111.911 -176.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -77.21 -12.47 17.35 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 124.276 3.317 . . . . 0.0 116.31 -172.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mm 64.24 56.33 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 125.907 1.683 . . . . 0.0 111.291 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.5 118.17 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 121.096 -1.003 . . . . 0.0 110.044 -174.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.01 20.87 9.97 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.611 1.964 . . . . 0.0 114.454 176.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.85 35.14 4.95 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.746 1.165 . . . . 0.0 115.415 171.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.2 ttt85 -152.82 142.88 22.3 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.522 1.161 . . . . 0.0 109.893 170.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.51 103.59 0.43 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.474 0.654 . . . . 0.0 111.607 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.69 166.45 22.97 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.196 0.999 . . . . 0.0 110.607 172.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -132.84 108.86 9.23 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.651 1.58 . . . . 0.0 108.535 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.3 t -109.94 122.4 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.906 1.282 . . . . 0.0 109.901 -173.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -163.03 168.27 21.24 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.52 1.528 . . . . 0.0 111.727 173.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.68 155.4 15.85 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.436 -0.79 . . . . 0.0 111.519 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.11 -90.51 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 125.613 1.565 . . . . 0.0 114.983 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -31.09 7.52 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.032 1 N-CA-C 123.819 4.748 . . . . 0.0 123.819 174.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.8 mt -90.39 -77.79 0.39 Allowed 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 124.451 3.296 . . . . 0.0 112.26 -169.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -84.28 17.94 25.95 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.469 1.509 . . . . 0.0 112.761 172.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.63 147.98 51.98 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.643 1.577 . . . . 0.0 112.941 -174.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -107.25 150.65 40.22 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 125.549 1.54 . . . . 0.0 112.275 -174.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -73.2 144.66 37.68 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.225 2.617 . . . . 0.0 111.345 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -131.35 15.92 5.0 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.076 1.75 . . . . 0.0 111.735 178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.3 p -151.13 171.4 17.43 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 129.002 2.921 . . . . 0.0 109.572 -171.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -62.9 130.52 45.17 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.08 0.552 . . . . 0.0 111.549 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 16.4 m -146.45 146.93 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 126.401 1.88 . . . . 0.0 110.27 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.973 1.709 . . . . 0.0 111.565 -175.114 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 1 C3'-C2'-C1' 105.632 4.591 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.361 0 O4'-C1'-N19 111.819 3.619 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C5'-C4'-C3' 110.704 -3.197 . 0.578 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.237 0 O4'-C1'-N19 111.28 3.08 . 0.772 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 1 C3'-C2'-C1' 106.171 5.19 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.82 0 O5'-C5'-C4' 113.597 2.426 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.437 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.0 m -78.69 2.94 17.87 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -169.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -160.94 158.34 27.95 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.17 1.788 . . . . 0.0 110.88 -174.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -77.29 -10.25 59.32 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.794 0.837 . . . . 0.0 112.855 169.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.21 72.9 7.06 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.273 1.429 . . . . 0.0 111.48 178.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -159.17 148.83 14.87 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.96 1.704 . . . . 0.0 110.719 -176.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.84 143.0 29.11 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.434 2.756 . . . . 0.0 111.375 -176.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.94 -15.6 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.4 p -164.19 144.41 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 126.1 1.76 . . . . 0.0 110.349 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.69 -179.3 47.78 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.581 1.086 . . . . 0.0 113.513 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.8 m 59.16 55.95 4.12 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.657 1.183 . . . . 0.0 112.439 173.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 tpp85 -146.29 124.51 12.21 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.292 1.437 . . . . 0.0 110.097 -177.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 55.59 -160.22 0.19 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.295 1.838 . . . . 0.0 112.381 -173.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.4 p -85.47 1.04 50.46 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.291 1.436 . . . . 0.0 113.388 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 50.5 ttm -55.65 -19.21 9.8 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.834 2.054 . . . . 0.0 114.481 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -125.1 12.14 8.28 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.063 1.345 . . . . 0.0 113.344 -176.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.6 p -133.48 -28.18 1.48 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.08 1.352 . . . . 0.0 113.331 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -82.73 148.16 28.03 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.326 1.45 . . . . 0.0 111.731 173.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.3 mt -147.76 124.08 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.859 1.664 . . . . 0.0 109.772 -169.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -86.01 140.63 30.12 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.247 1.419 . . . . 0.0 108.423 167.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.04 88.61 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.215 1.006 . . . . 0.0 109.493 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.41 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -94.56 -177.05 38.58 Favored Glycine 0 N--CA 1.468 0.813 0 C-N-CA 123.711 0.672 . . . . 0.0 113.431 173.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.77 16.21 72.02 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 123.938 0.78 . . . . 0.0 113.493 -176.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.97 142.23 85.09 Favored Pre-proline 0 C--O 1.24 0.557 0 C-N-CA 124.355 1.062 . . . . 0.0 109.501 175.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.65 141.24 54.2 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 121.791 1.661 . . . . 0.0 108.802 169.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -59.41 -15.19 15.37 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -169.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -88.23 -1.1 57.82 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.468 1.507 . . . . 0.0 114.987 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.0 m -66.29 127.33 31.81 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.796 1.238 . . . . 0.0 109.379 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.6 p -94.53 166.67 11.93 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.99 0.9 . . . . 0.0 112.673 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -56.81 -36.85 70.41 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.465 1.106 . . . . 0.0 111.455 173.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -72.75 -40.16 66.26 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.086 0.954 . . . . 0.0 112.54 173.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.2 m -57.23 -41.31 79.28 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 119.364 0.984 . . . . 0.0 110.62 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.4 tp -73.33 -40.18 64.67 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -59.85 -39.05 83.89 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.383 -0.823 . . . . 0.0 111.765 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.79 -10.48 59.4 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.224 1.409 . . . . 0.0 112.783 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -92.46 -44.7 8.52 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.802 0.728 . . . . 0.0 112.072 169.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -75.72 -13.48 60.31 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -174.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -7.4 38.08 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -73.95 -19.72 60.59 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.695 0.798 . . . . 0.0 112.937 170.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -93.71 -15.61 25.07 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.632 1.173 . . . . 0.0 113.014 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.6 -153.75 24.3 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.499 1.523 . . . . 0.0 112.687 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -86.32 137.78 32.33 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.338 1.055 . . . . 0.0 112.339 -171.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.3 mt -110.25 129.07 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.17 1.388 . . . . 0.0 110.58 -173.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -73.86 -46.89 42.02 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.853 1.261 . . . . 0.0 111.064 169.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -163.51 146.3 10.0 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.62 1.968 . . . . 0.0 109.146 -175.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.72 136.43 23.12 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.094 1.358 . . . . 0.0 109.881 173.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 m -150.8 157.63 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.085 1.354 . . . . 0.0 111.847 -169.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.2 t -121.5 133.1 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.95 1.7 . . . . 0.0 108.265 170.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.6 mm -77.82 110.5 13.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 123.324 0.65 . . . . 0.0 110.601 -172.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.6 p -116.44 139.89 49.95 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.253 1.821 . . . . 0.0 109.094 170.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.75 132.05 52.64 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -175.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.493 ' HG2' ' C6 ' ' B' ' 12' ' ' ' C' . 28.5 mmm180 -61.53 -17.81 56.42 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -178.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -106.21 -30.81 8.98 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.789 1.636 . . . . 0.0 113.091 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.2 p -127.25 -13.69 5.53 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.703 1.601 . . . . 0.0 114.458 -173.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 60.89 17.61 7.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.204 2.202 . . . . 0.0 113.476 -176.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 134.98 49.73 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.113 -0.992 . . . . 0.0 110.675 173.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 m -79.95 133.5 36.2 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.968 0.907 . . . . 0.0 111.684 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -83.05 -6.95 59.69 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.92 5.4 77.45 Favored Glycine 0 N--CA 1.476 1.325 0 C-N-CA 124.722 1.153 . . . . 0.0 114.295 -177.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.41 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 43.4 p90 -143.03 161.78 37.22 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.932 1.293 . . . . 0.0 114.045 177.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.4 -174.05 16.32 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 127.092 2.282 . . . . 0.0 112.364 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -136.42 151.21 49.27 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.794 1.637 . . . . 0.0 111.08 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.3 t -139.18 141.73 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 126.17 1.788 . . . . 0.0 108.267 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.2 m -131.82 132.75 44.0 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.172 0.989 . . . . 0.0 108.895 174.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 80.5 mmm -102.47 145.4 29.62 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.701 1.2 . . . . 0.0 111.423 -172.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -67.98 -23.9 65.08 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -175.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -141.22 146.33 36.75 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.703 1.601 . . . . 0.0 110.929 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -54.9 -43.11 72.94 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.475 1.11 . . . . 0.0 112.472 -174.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.7 -14.07 62.78 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -82.78 -34.56 27.02 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.284 -0.885 . . . . 0.0 111.511 170.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.93 -33.76 66.14 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.171 -0.955 . . . . 0.0 112.277 171.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.13 -39.59 86.82 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.262 0.625 . . . . 0.0 111.847 171.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -68.07 -38.57 82.57 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.691 0.796 . . . . 0.0 112.251 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.81 -39.86 72.82 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.6 p -75.11 -11.05 60.0 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -64.05 -26.91 68.77 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.379 1.472 . . . . 0.0 113.763 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -114.06 109.68 49.3 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.513 1.525 . . . . 0.0 109.521 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.08 -16.09 15.98 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.929 2.419 . . . . 0.0 113.151 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -139.64 77.37 28.15 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 125.025 1.33 . . . . 0.0 111.714 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.24 -11.8 14.52 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 124.181 3.254 . . . . 0.0 116.154 -171.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.3 mm 65.18 54.85 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 125.448 1.499 . . . . 0.0 111.651 176.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.9 mt -69.25 121.13 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.543 1.137 . . . . 0.0 110.397 -174.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.96 19.51 9.9 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.902 2.081 . . . . 0.0 114.192 -178.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.7 25.78 14.58 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.469 1.033 . . . . 0.0 114.928 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -144.7 136.43 25.7 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.488 1.515 . . . . 0.0 109.78 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.75 102.58 0.6 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -173.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.53 168.14 19.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.947 1.299 . . . . 0.0 110.821 169.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -138.63 109.26 6.6 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.731 1.613 . . . . 0.0 108.882 -174.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 81.9 t -108.68 133.91 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.167 1.387 . . . . 0.0 110.804 -169.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -158.02 166.73 31.81 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.844 1.258 . . . . 0.0 112.529 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.0 mt -74.99 18.15 0.19 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.99 1.716 . . . . 0.0 115.488 -174.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 74.79 -65.97 0.32 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 127.23 2.212 . . . . 0.0 112.86 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -53.66 13.38 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.842 0 N-CA-C 120.926 3.676 . . . . 0.0 120.926 -172.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.95 -63.45 1.13 Allowed 'General case' 0 C--N 1.352 0.674 0 CA-C-N 123.344 2.793 . . . . 0.0 110.987 -167.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.01 16.69 60.81 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 126.021 1.772 . . . . 0.0 113.635 170.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.12 140.98 47.77 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.842 1.657 . . . . 0.0 113.547 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -97.45 152.24 38.1 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.48 1.112 . . . . 0.0 111.631 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.02 144.0 46.24 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.195 2.597 . . . . 0.0 110.258 170.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -147.3 127.77 14.07 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.925 1.69 . . . . 0.0 108.401 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.0 t -163.0 154.95 18.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.064 1.346 . . . . 0.0 111.617 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -129.72 16.82 5.82 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.045 1.738 . . . . 0.0 111.449 169.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 27.2 m -143.39 159.25 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 125.566 1.546 . . . . 0.0 112.135 -170.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 126.138 1.775 . . . . 0.0 111.296 -178.932 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 1 O4'-C1'-N19 113.062 4.862 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.392 1 O4'-C1'-N19 112.848 4.648 . 0.012 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 1 O4'-C1'-N19 112.338 4.138 . 0.071 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.415 2 O4'-C1'-N19 114.303 6.103 . 0.378 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.867 1 O5'-C5'-C4' 116.224 4.303 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.493 ' C6 ' ' HG2' ' A' ' 70' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.471 1 C3'-C2'-C1' 105.508 4.453 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.523 0 N-CA-C 111.861 -0.495 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.6 p -164.25 169.03 18.12 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.404 1.482 . . . . 0.0 111.724 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t -161.74 154.8 20.7 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.796 1.638 . . . . 0.0 110.8 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -83.37 48.75 1.44 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.294 1.438 . . . . 0.0 112.186 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.71 150.77 21.32 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.075 1.75 . . . . 0.0 111.461 -175.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -162.7 135.31 4.24 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.398 1.479 . . . . 0.0 109.86 -175.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -70.93 143.46 45.27 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.339 2.693 . . . . 0.0 111.057 177.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 p -73.23 -7.88 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -173.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.0 t 78.01 125.04 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 128.632 2.773 . . . . 0.0 110.244 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.61 11.9 83.52 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 123.923 0.773 . . . . 0.0 113.023 -169.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -57.07 136.93 56.36 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.586 1.954 . . . . 0.0 112.772 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -108.87 12.63 25.36 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.039 1.336 . . . . 0.0 113.012 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -93.94 152.73 18.63 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.02 1.728 . . . . 0.0 112.855 -169.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.8 p -86.14 0.54 53.34 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.827 1.651 . . . . 0.0 113.479 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.4 mtp -53.59 -20.75 5.5 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.473 1.509 . . . . 0.0 113.533 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -112.78 4.39 16.99 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.688 1.595 . . . . 0.0 113.386 -175.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.0 p -132.43 -24.22 2.05 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.396 1.478 . . . . 0.0 113.74 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -88.54 128.31 35.56 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.742 1.617 . . . . 0.0 110.592 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.0 mt -127.92 119.41 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.972 1.709 . . . . 0.0 109.494 -168.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -81.8 134.12 35.4 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.1 1.36 . . . . 0.0 108.176 169.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.31 92.06 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.767 0.827 . . . . 0.0 109.55 -176.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.4 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -100.36 -173.93 29.88 Favored Glycine 0 N--CA 1.466 0.673 0 C-N-CA 123.87 0.748 . . . . 0.0 113.778 177.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.03 15.56 67.45 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.345 0.974 . . . . 0.0 113.905 -175.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -72.22 146.51 89.65 Favored Pre-proline 0 C--O 1.24 0.577 0 C-N-CA 124.479 1.112 . . . . 0.0 110.27 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.06 145.59 44.96 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.115 1.877 . . . . 0.0 108.642 168.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -63.59 -10.03 16.43 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -171.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -95.08 -4.01 47.1 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.598 1.559 . . . . 0.0 115.039 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.4 m -66.63 130.47 43.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.485 1.114 . . . . 0.0 109.434 169.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -100.94 167.65 10.13 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.378 1.071 . . . . 0.0 111.699 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.91 -29.17 69.43 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.041 -1.037 . . . . 0.0 112.4 173.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -70.15 -44.61 68.47 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.47 0.708 . . . . 0.0 111.432 171.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -57.19 -44.43 83.59 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.531 1.532 . . . . 0.0 110.769 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.6 tp -73.86 -37.85 64.65 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.42 0.688 . . . . 0.0 112.73 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -60.15 -41.39 92.65 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.742 0.701 . . . . 0.0 111.195 172.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -65.59 -37.41 86.56 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.82 0.848 . . . . 0.0 112.134 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -69.01 -30.05 68.37 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -86.47 -7.03 58.74 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -175.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -67.08 -16.96 64.67 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.636 1.107 . . . . 0.0 113.245 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -74.32 -15.17 60.96 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.52 1.128 . . . . 0.0 113.31 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -97.67 -14.6 20.83 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.437 1.095 . . . . 0.0 113.343 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.89 -144.78 16.85 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.371 0.986 . . . . 0.0 113.34 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -89.32 119.45 29.8 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.341 1.056 . . . . 0.0 112.074 -169.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.5 mt -91.33 131.24 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.451 1.1 . . . . 0.0 109.484 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -94.1 -35.79 12.39 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.119 1.767 . . . . 0.0 111.548 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -164.31 150.91 11.19 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.311 1.844 . . . . 0.0 109.35 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.33 138.91 19.61 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.607 1.163 . . . . 0.0 110.667 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.2 m -151.14 158.85 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.961 1.704 . . . . 0.0 111.231 -173.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.5 t -128.79 133.24 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.396 1.478 . . . . 0.0 107.863 169.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.45 HG13 ' CE1' ' A' ' 78' ' ' TYR . 29.0 mm -78.86 117.59 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 123.657 0.783 . . . . 0.0 110.678 -171.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.3 p -120.28 134.0 55.35 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.5 1.92 . . . . 0.0 107.924 169.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.433 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 8.4 t0 -57.74 132.34 53.0 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -169.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.55 -17.99 61.09 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -104.36 -28.79 11.16 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.767 1.627 . . . . 0.0 113.08 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.3 p -134.72 -12.93 2.26 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 -170.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 59.68 15.4 4.68 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.826 2.051 . . . . 0.0 113.999 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -69.96 140.41 52.99 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.153 -0.967 . . . . 0.0 110.284 171.226 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 m -72.64 133.97 44.9 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.331 -0.856 . . . . 0.0 111.733 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -84.98 -4.15 59.04 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.7 2.11 90.61 Favored Glycine 0 N--CA 1.474 1.171 0 C-N-CA 124.89 1.233 . . . . 0.0 114.02 -176.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.45 ' CE1' HG13 ' A' ' 67' ' ' ILE . 30.0 p90 -143.87 161.98 37.26 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.715 1.206 . . . . 0.0 114.193 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.11 -171.31 12.33 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 127.334 2.397 . . . . 0.0 111.949 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -134.41 148.46 50.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 125.46 1.504 . . . . 0.0 110.696 176.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.0 t -135.38 136.46 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.251 1.42 . . . . 0.0 107.865 171.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.3 m -119.8 135.72 54.74 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 174.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 85.4 mmm -104.13 142.16 34.97 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.291 1.037 . . . . 0.0 110.451 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -60.03 -21.56 61.52 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -153.37 152.29 30.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.882 1.273 . . . . 0.0 111.692 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -56.98 -29.02 62.9 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.156 1.382 . . . . 0.0 112.656 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.63 -21.41 65.38 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.1 m -90.79 -30.06 17.23 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.247 -0.908 . . . . 0.0 111.909 172.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.8 -34.57 62.42 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.887 -1.133 . . . . 0.0 113.228 175.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -65.34 -31.87 73.22 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.583 -0.698 . . . . 0.0 112.173 174.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -71.13 -34.4 71.01 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.479 1.112 . . . . 0.0 112.27 171.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.97 -30.57 66.88 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.0 p -77.99 -4.13 45.48 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -65.14 -23.3 67.09 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -128.84 105.61 18.49 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.055 1.342 . . . . 0.0 109.535 171.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.5 -14.4 12.95 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.132 2.554 . . . . 0.0 113.169 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -136.71 73.86 53.43 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.634 1.174 . . . . 0.0 111.169 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -78.21 -10.8 16.32 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 124.318 3.345 . . . . 0.0 116.365 -169.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.2 mm 64.73 55.31 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.293 1.437 . . . . 0.0 111.255 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.2 mt -67.2 120.23 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.332 1.053 . . . . 0.0 110.155 -175.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.7 21.4 10.13 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.781 2.032 . . . . 0.0 114.143 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.17 26.07 11.78 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.634 1.111 . . . . 0.0 115.238 174.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -146.35 135.94 23.11 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.002 1.321 . . . . 0.0 109.853 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.98 103.17 0.56 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.55 0.74 . . . . 0.0 112.807 -173.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.66 172.63 13.5 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.723 1.209 . . . . 0.0 110.993 173.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -140.94 109.06 5.76 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.318 1.847 . . . . 0.0 108.676 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.4 t -110.69 124.13 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.764 1.626 . . . . 0.0 109.324 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -162.32 160.53 26.8 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.315 1.046 . . . . 0.0 112.815 172.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.6 mt -52.95 148.1 8.25 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.039 0.936 . . . . 0.0 110.681 171.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.75 -85.05 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.409 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -32.71 5.64 0.0 OUTLIER 'General case' 0 CA--C 1.577 2.015 1 N-CA-C 123.95 4.796 . . . . 0.0 123.95 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.7 mt -88.08 -76.35 0.39 Allowed 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 124.601 3.364 . . . . 0.0 112.666 -168.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -84.52 12.06 56.97 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.149 1.357 . . . . 0.0 112.655 171.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.78 145.22 55.41 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.665 1.586 . . . . 0.0 112.886 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -102.08 157.44 33.69 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 125.266 1.426 . . . . 0.0 112.761 -170.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -52.52 139.51 56.36 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 124.338 3.358 . . . . 0.0 112.701 170.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -159.91 121.64 3.25 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.09 1.356 . . . . 0.0 109.317 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 39.6 p -119.22 -8.08 10.18 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -169.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -76.46 32.51 0.13 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.984 1.314 . . . . 0.0 113.904 -175.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 9.0 p -170.97 139.11 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 127.867 2.467 . . . . 0.0 109.534 -174.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 125.935 1.694 . . . . 0.0 111.394 -179.385 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 1 C3'-C2'-C1' 105.565 4.517 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.191 1 O4'-C1'-N19 112.355 4.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 O4'-C1'-N19 111.59 3.39 . 0.524 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.375 0 O4'-C1'-N19 110.957 2.757 . 0.684 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.629 1 C3'-C2'-C1' 106.111 5.123 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 0 C3'-C2'-C1' 105.025 3.917 . 0.043 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.8 p -84.52 -12.13 54.79 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -164.71 167.83 18.62 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.832 2.053 . . . . 0.0 110.441 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -65.61 130.06 41.97 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.425 1.09 . . . . 0.0 111.72 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.05 160.96 31.16 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.75 1.62 . . . . 0.0 111.778 -176.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -145.17 151.33 47.96 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 126.266 1.826 . . . . 0.0 109.659 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -76.54 44.03 1.32 Allowed 'Trans proline' 0 CA--C 1.548 1.208 0 C-N-CA 124.581 3.521 . . . . 0.0 112.538 -176.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.6 p -172.16 132.37 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 127.528 2.331 . . . . 0.0 109.019 -173.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.7 t -146.69 131.33 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.312 1.445 . . . . 0.0 109.244 -177.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 153.95 115.69 0.58 Allowed Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.84 1.21 . . . . 0.0 112.607 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 t -170.51 177.18 4.1 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.562 1.945 . . . . 0.0 110.555 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -71.72 130.77 41.94 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.152 0.981 . . . . 0.0 109.865 173.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -162.02 146.65 12.68 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.182 1.393 . . . . 0.0 111.942 -174.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.2 p -140.66 -12.73 1.0 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.503 1.921 . . . . 0.0 113.14 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.1 mmt -68.12 -31.95 71.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.64 1.109 . . . . 0.0 112.794 -173.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -112.6 9.93 19.44 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.659 1.184 . . . . 0.0 112.998 -174.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.7 p -131.79 -23.83 2.24 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.699 1.599 . . . . 0.0 113.376 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 tttp -95.71 133.24 40.04 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.949 0.9 . . . . 0.0 111.646 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.0 mt -129.17 122.95 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 126.152 1.781 . . . . 0.0 109.288 -168.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -87.04 137.69 32.13 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.121 1.369 . . . . 0.0 108.032 168.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.3 t -137.37 94.35 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 123.939 0.895 . . . . 0.0 109.646 -175.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.73 -174.45 28.15 Favored Glycine 0 N--CA 1.467 0.738 0 C-N-CA 123.325 0.488 . . . . 0.0 113.334 173.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.06 14.44 73.59 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.14 0.876 . . . . 0.0 114.149 -174.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.5 mt -70.66 144.08 90.68 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 124.68 1.192 . . . . 0.0 110.106 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -70.43 144.43 50.46 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.311 2.007 . . . . 0.0 109.245 169.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.4 m-30 -63.31 -10.43 16.23 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -170.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -89.72 -1.02 57.9 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.298 1.439 . . . . 0.0 114.77 174.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.6 m -68.21 137.7 55.01 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.12 1.368 . . . . 0.0 109.38 171.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.5 p -112.44 169.59 8.77 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.75 0.82 . . . . 0.0 112.583 174.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.56 -36.83 67.25 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.618 1.167 . . . . 0.0 111.613 173.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -68.32 -43.17 78.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.28 1.432 . . . . 0.0 111.948 173.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.9 m -59.93 -47.3 86.36 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.342 1.057 . . . . 0.0 110.818 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 tp -73.11 -34.95 66.46 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -59.82 -43.99 94.24 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.641 0.655 . . . . 0.0 110.805 170.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -69.33 -37.06 77.54 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.477 0.711 . . . . 0.0 112.107 -175.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -65.66 -31.12 71.97 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 177.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -86.91 -6.52 58.75 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -176.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.77 -16.92 64.35 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.684 1.129 . . . . 0.0 113.053 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -71.75 -14.58 62.05 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.233 1.013 . . . . 0.0 113.277 175.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -99.56 -13.68 19.33 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.625 1.17 . . . . 0.0 113.411 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.64 -147.47 19.15 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.357 0.979 . . . . 0.0 113.322 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.32 129.01 34.91 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.064 0.945 . . . . 0.0 112.602 -172.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.5 mt -105.01 126.91 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.958 1.303 . . . . 0.0 109.44 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -82.25 -44.79 15.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.958 1.703 . . . . 0.0 110.309 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -165.11 150.65 9.6 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.797 2.039 . . . . 0.0 109.382 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.63 144.47 27.22 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.646 1.178 . . . . 0.0 111.273 176.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -150.44 159.09 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.261 1.424 . . . . 0.0 112.171 -173.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.0 t -123.45 134.13 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 126.213 1.805 . . . . 0.0 108.384 169.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mm -81.03 110.26 16.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 124.71 1.204 . . . . 0.0 110.689 -172.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.9 p -110.71 141.09 44.46 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 126.268 1.827 . . . . 0.0 109.225 170.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -64.58 135.77 56.33 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -170.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.31 -19.45 8.63 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 116.755 2.132 . . . . 0.0 116.755 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -125.65 -32.31 2.87 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.138 1.375 . . . . 0.0 113.738 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.8 p -107.38 -16.3 14.42 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.186 1.395 . . . . 0.0 114.009 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 61.35 10.42 3.09 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.95 2.1 . . . . 0.0 114.069 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 142.58 47.5 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.023 -1.048 . . . . 0.0 110.679 173.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.8 t -66.44 137.52 56.9 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.189 -0.944 . . . . 0.0 111.09 174.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.0 mtt-85 -92.65 3.81 54.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.15 0.98 . . . . 0.0 113.349 177.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.81 11.76 76.17 Favored Glycine 0 N--CA 1.472 1.052 0 C-N-CA 124.411 1.005 . . . . 0.0 114.247 176.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -146.37 164.79 31.3 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -155.22 -175.42 26.25 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 127.461 2.457 . . . . 0.0 112.095 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -136.03 147.94 48.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.696 1.599 . . . . 0.0 110.766 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.4 t -137.28 133.66 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.787 1.635 . . . . 0.0 108.183 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.7 m -119.6 125.35 48.56 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 82.4 mmm -97.44 145.16 26.45 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.346 1.058 . . . . 0.0 110.47 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -67.91 -20.94 65.14 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -175.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -147.65 151.23 35.82 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.37 1.468 . . . . 0.0 111.225 177.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -51.93 -38.42 56.31 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.372 1.069 . . . . 0.0 112.191 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.94 -16.95 62.69 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.8 m -84.53 -30.86 24.76 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.362 -0.836 . . . . 0.0 111.724 170.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.38 -35.04 65.85 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.937 -1.102 . . . . 0.0 112.395 171.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -57.2 -39.54 75.59 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.007 0.923 . . . . 0.0 111.638 170.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -70.88 -31.67 68.41 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.858 0.863 . . . . 0.0 112.686 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.69 -33.49 64.45 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.3 p -78.75 -4.26 48.41 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.827 1.418 . . . . 0.0 114.827 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.55 -25.72 68.2 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -132.87 108.21 12.83 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.531 1.532 . . . . 0.0 109.735 174.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.5 -13.12 16.7 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.963 2.442 . . . . 0.0 113.142 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -133.12 73.22 75.2 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 124.475 1.11 . . . . 0.0 111.819 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.11 -10.64 13.77 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 124.256 3.304 . . . . 0.0 116.15 -170.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 65.23 59.34 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 125.812 1.645 . . . . 0.0 111.265 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.7 mt -71.39 120.32 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.302 1.041 . . . . 0.0 109.886 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 t0 57.05 29.25 16.16 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.324 1.85 . . . . 0.0 113.736 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.99 28.18 14.39 Favored Glycine 0 CA--C 1.534 1.263 0 N-CA-C 115.68 1.032 . . . . 0.0 115.68 171.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -152.25 140.44 20.36 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.816 1.246 . . . . 0.0 109.649 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.35 102.58 0.42 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.521 0.728 . . . . 0.0 112.662 -174.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.97 170.68 16.2 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.566 1.146 . . . . 0.0 110.518 171.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -145.19 99.15 3.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.979 1.712 . . . . 0.0 108.306 -172.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 87.6 t -107.33 126.97 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 126.127 1.771 . . . . 0.0 110.196 -168.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -163.59 163.18 24.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.962 1.305 . . . . 0.0 112.231 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.35 150.76 14.14 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.586 -0.696 . . . . 0.0 110.661 173.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.48 -88.89 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.362 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -34.74 10.13 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.037 1 N-CA-C 123.323 4.564 . . . . 0.0 123.323 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.7 mt -89.42 -79.95 0.31 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 124.477 3.308 . . . . 0.0 112.816 -168.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.37 18.72 12.94 Favored Glycine 0 N--CA 1.473 1.158 0 C-N-CA 125.288 1.423 . . . . 0.0 112.463 171.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.51 147.39 49.41 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.993 1.717 . . . . 0.0 113.195 -173.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -68.31 154.99 93.4 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 124.951 1.3 . . . . 0.0 110.908 169.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.93 118.62 5.79 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.123 2.549 . . . . 0.0 109.993 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -91.32 1.5 57.07 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.087 0.955 . . . . 0.0 113.5 -170.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.6 p -57.4 -14.82 5.25 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.949 2.1 . . . . 0.0 114.514 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -62.5 -18.37 61.74 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.942 1.297 . . . . 0.0 113.555 169.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 17.6 m -132.15 139.81 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.516 1.526 . . . . 0.0 110.383 172.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--O 1.253 1.28 0 C-N-CA 126.12 1.768 . . . . 0.0 111.296 -172.686 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 1 C3'-C2'-C1' 105.129 4.032 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 O4'-C1'-N19 111.579 3.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.104 0 C5'-C4'-C3' 111.187 -2.875 . 0.384 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.281 1 O4'-C1'-N19 113.201 5.001 . 0.733 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 1 C3'-C2'-C1' 105.552 4.502 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 1 C3'-C2'-C1' 105.459 4.399 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.559 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.7 p -94.47 -5.79 45.38 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -175.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.2 m -64.19 126.83 28.99 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.685 1.594 . . . . 0.0 110.934 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -71.58 129.47 38.82 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.543 0.737 . . . . 0.0 111.386 176.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.62 20.33 2.71 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.824 1.65 . . . . 0.0 112.597 178.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.43 137.81 83.73 Favored Pre-proline 0 CA--C 1.547 0.852 0 O-C-N 120.765 -1.21 . . . . 0.0 111.458 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -71.28 155.47 60.54 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.738 2.959 . . . . 0.0 110.767 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.258 7.5 p -85.55 45.71 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-O 122.444 1.116 . . . . 0.0 112.014 -170.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.7 t 65.42 97.06 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 128.422 2.689 . . . . 0.0 111.077 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.54 -53.16 4.23 Favored Glycine 0 N--CA 1.47 0.946 0 C-N-CA 125.199 1.381 . . . . 0.0 112.756 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.1 m -65.46 116.0 6.29 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.903 1.281 . . . . 0.0 111.216 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -156.03 13.64 0.32 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.225 1.41 . . . . 0.0 113.763 -169.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.08 120.52 8.17 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.139 1.776 . . . . 0.0 111.866 -173.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 p 66.47 -7.48 0.43 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 128.53 2.732 . . . . 0.0 115.396 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.0 mmt -55.75 -40.21 72.24 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.564 1.075 . . . . 0.0 112.844 -171.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -90.57 -2.08 57.88 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.8 p -126.83 -16.56 5.15 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.953 1.301 . . . . 0.0 114.186 -173.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -91.77 121.83 33.76 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.061 1.744 . . . . 0.0 110.433 174.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 mt -126.76 123.76 63.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.456 1.503 . . . . 0.0 110.725 -167.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -86.61 134.66 33.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.804 1.642 . . . . 0.0 108.416 169.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.7 t -135.46 90.22 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.323 1.049 . . . . 0.0 109.295 -173.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.63 -173.33 30.78 Favored Glycine 0 N--CA 1.466 0.646 0 C-N-CA 124.188 0.899 . . . . 0.0 114.207 177.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.81 15.19 71.14 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.602 1.096 . . . . 0.0 114.124 -174.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.3 mt -70.9 145.08 91.33 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 124.828 1.251 . . . . 0.0 110.472 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.9 142.17 42.29 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 122.103 1.868 . . . . 0.0 108.654 168.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -61.99 -13.12 22.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -169.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -88.78 -0.66 57.54 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.405 1.482 . . . . 0.0 114.765 175.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.7 m -64.99 131.85 47.68 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.715 1.206 . . . . 0.0 109.124 172.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.3 m -106.47 168.41 9.18 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.952 0.901 . . . . 0.0 111.925 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -58.63 -40.28 82.89 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.379 -0.826 . . . . 0.0 111.897 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.04 -40.89 91.35 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.518 0.727 . . . . 0.0 112.043 174.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 m -56.4 -46.54 80.11 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.925 1.29 . . . . 0.0 110.58 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.0 tp -75.25 -34.63 61.42 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -61.87 -42.83 99.53 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.03 0.832 . . . . 0.0 111.316 171.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.29 -41.57 76.64 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.105 0.962 . . . . 0.0 111.384 -175.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -61.68 -32.75 72.96 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -86.62 -5.55 59.1 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -67.63 -18.11 64.85 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.863 1.21 . . . . 0.0 112.987 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -70.16 -15.69 62.98 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.818 0.847 . . . . 0.0 113.103 174.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -100.29 -11.87 19.98 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.706 1.202 . . . . 0.0 113.417 -177.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.16 -143.53 15.19 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 124.439 1.019 . . . . 0.0 113.525 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -94.16 136.18 34.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.017 1.327 . . . . 0.0 112.205 -169.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.4 mt -116.98 129.52 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.865 1.266 . . . . 0.0 111.071 -168.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.48 -44.71 23.84 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.457 1.503 . . . . 0.0 111.961 171.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -164.02 145.74 8.93 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.515 1.926 . . . . 0.0 108.671 -169.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.01 127.18 7.06 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.292 1.037 . . . . 0.0 110.633 173.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.8 m -154.47 158.07 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.209 1.404 . . . . 0.0 111.469 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.57 134.78 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.041 1.736 . . . . 0.0 108.823 173.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.8 mm -78.96 109.02 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.973 0.892 . . . . 0.0 109.908 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -108.3 150.64 27.04 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 125.75 1.62 . . . . 0.0 109.148 169.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.32 120.16 9.88 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 168.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.509 ' HG2' ' C6 ' ' B' ' 12' ' ' ' C' . 15.4 mmt-85 -69.48 -4.26 18.04 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -170.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -105.81 -25.14 12.3 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.313 1.845 . . . . 0.0 112.887 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 55.9 p -132.36 -16.0 2.78 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.637 1.575 . . . . 0.0 115.002 -171.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 65.57 20.75 11.68 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.219 2.208 . . . . 0.0 113.824 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -69.16 -14.91 63.26 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 117.955 2.576 . . . . 0.0 117.955 -168.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.2 t 69.47 145.88 0.06 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 127.691 2.396 . . . . 0.0 113.65 -172.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.0 mtt-85 -104.5 0.67 29.05 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.485 1.114 . . . . 0.0 113.579 170.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.43 14.81 81.76 Favored Glycine 0 N--CA 1.47 0.921 0 O-C-N 121.435 -0.79 . . . . 0.0 113.765 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -145.31 156.16 43.64 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.59 1.195 . . . . 0.0 113.772 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.13 -176.28 14.43 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 126.935 2.207 . . . . 0.0 112.332 175.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -126.61 147.83 49.86 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.451 1.5 . . . . 0.0 109.987 173.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.0 133.97 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 126.341 1.856 . . . . 0.0 107.436 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.0 m -126.3 134.37 51.15 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 81.9 mmm -104.15 147.09 27.84 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.406 1.082 . . . . 0.0 110.927 -172.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -68.25 -18.8 64.64 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -155.63 152.28 28.52 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.939 1.296 . . . . 0.0 111.874 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -57.25 -30.5 64.69 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.887 1.275 . . . . 0.0 112.689 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.53 -17.0 63.55 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 175.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.3 m -92.43 -34.89 13.95 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.97 -1.081 . . . . 0.0 111.161 169.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.78 73.45 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.68 -37.71 88.36 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.764 0.711 . . . . 0.0 111.967 175.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -70.78 -35.3 72.52 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.439 1.096 . . . . 0.0 112.138 172.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.97 -38.61 79.47 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.8 p -79.83 -8.04 59.05 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.915 1.079 . . . . 0.0 113.915 176.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -60.95 -32.63 72.15 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.364 1.466 . . . . 0.0 113.779 -175.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -113.48 110.62 50.04 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.456 1.503 . . . . 0.0 109.492 172.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.84 -16.34 14.55 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.898 2.399 . . . . 0.0 113.147 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -138.17 76.27 38.87 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.177 1.391 . . . . 0.0 111.288 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.92 -11.15 13.87 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.955 3.103 . . . . 0.0 115.932 -169.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.9 mm 66.46 57.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 125.358 1.463 . . . . 0.0 111.43 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.5 mt -70.52 119.37 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.339 1.056 . . . . 0.0 110.233 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.62 21.73 11.59 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.947 2.099 . . . . 0.0 114.312 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.21 28.25 10.03 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.507 1.051 . . . . 0.0 115.15 174.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -147.77 138.33 23.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.43 1.492 . . . . 0.0 109.448 178.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.26 104.16 0.46 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.516 0.674 . . . . 0.0 112.382 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.53 170.44 16.34 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.686 1.195 . . . . 0.0 110.073 169.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -140.95 115.99 9.83 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.136 1.775 . . . . 0.0 108.739 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.7 t -113.39 126.7 70.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.998 1.319 . . . . 0.0 109.821 -171.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -159.99 161.24 34.06 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.894 1.277 . . . . 0.0 112.093 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.97 154.03 27.66 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.212 -0.93 . . . . 0.0 110.803 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.6 -90.14 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -176.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -22.95 3.11 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.847 1 N-CA-C 124.546 5.017 . . . . 0.0 124.546 173.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.1 mt -89.74 -64.82 1.08 Allowed 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 124.195 3.18 . . . . 0.0 111.064 -169.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.01 21.02 46.27 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.908 1.718 . . . . 0.0 112.687 169.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.52 159.37 34.03 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.051 1.34 . . . . 0.0 114.259 -170.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -137.79 151.39 70.43 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 126.954 2.102 . . . . 0.0 111.267 -170.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -69.13 143.05 52.53 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.239 2.626 . . . . 0.0 111.302 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -154.43 81.36 1.11 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.609 1.164 . . . . 0.0 110.282 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 58.4 p 54.67 8.05 0.19 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 129.202 3.001 . . . . 0.0 117.812 168.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -135.78 17.12 3.3 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.219 1.408 . . . . 0.0 112.947 -170.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.6 m -147.17 154.14 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 126.288 1.835 . . . . 0.0 111.019 -173.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 126.059 1.743 . . . . 0.0 111.318 -177.227 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 C3'-C2'-C1' 105.027 3.919 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 0 O4'-C1'-N19 111.901 3.701 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 O4'-C1'-N19 111.259 3.059 . 0.496 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.378 1 C3'-C2'-C1' 106.231 5.256 OUTLIER-DELTA 0.091 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 O4'-C1'-N19 111.985 3.785 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.509 ' C6 ' ' HG2' ' A' ' 70' ' ' ARG . . . . . . . . 0 C5'--C4' 1.542 2.472 0 C5'-C4'-C3' 109.992 -3.672 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.739 -0.544 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.3 p -86.38 -9.74 55.75 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -163.83 171.7 15.09 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.835 2.054 . . . . 0.0 110.575 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -63.11 141.29 58.82 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.744 1.218 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.4 149.57 49.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.567 1.147 . . . . 0.0 112.932 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -74.0 133.35 78.84 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.357 1.063 . . . . 0.0 110.45 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.44 152.6 54.9 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.303 2.668 . . . . 0.0 111.663 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.87 -11.21 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -174.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -160.93 135.62 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.343 1.857 . . . . 0.0 109.705 177.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.62 21.96 12.6 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.497 1.523 . . . . 0.0 114.857 -173.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.5 m -147.72 169.04 20.56 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.115 1.766 . . . . 0.0 110.918 -172.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.4 tpp85 -157.7 -42.62 0.07 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 175.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -172.7 169.66 4.92 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 127.612 2.365 . . . . 0.0 110.841 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.0 p -62.9 -26.37 68.76 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.547 1.139 . . . . 0.0 112.683 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.0 mtp -56.01 -18.63 9.94 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.135 1.374 . . . . 0.0 113.424 172.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -116.59 3.94 13.16 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.735 1.214 . . . . 0.0 113.849 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.8 p -135.77 -21.29 1.49 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.546 1.138 . . . . 0.0 114.07 -177.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -86.92 129.96 34.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.306 1.443 . . . . 0.0 110.546 171.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.7 mt -129.5 119.22 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 126.053 1.741 . . . . 0.0 109.269 -169.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -81.98 137.34 35.15 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.662 1.185 . . . . 0.0 108.019 168.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.426 HG13 HG22 ' A' ' 107' ' ' VAL . 43.7 t -135.39 92.23 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.614 0.766 . . . . 0.0 109.463 -178.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.451 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -101.97 -175.74 27.94 Favored Glycine 0 N--CA 1.469 0.89 0 C-N-CA 123.067 0.365 . . . . 0.0 113.452 177.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.27 19.73 70.66 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 123.737 0.684 . . . . 0.0 113.631 -174.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.5 mt -73.98 145.02 83.18 Favored Pre-proline 0 C--O 1.24 0.562 0 C-N-CA 124.499 1.12 . . . . 0.0 109.919 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -69.76 145.13 56.21 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.181 1.921 . . . . 0.0 109.263 169.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -62.58 -11.7 18.33 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -170.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -90.47 2.03 56.09 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.385 1.474 . . . . 0.0 114.835 175.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.6 m -71.06 135.53 47.8 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.072 1.349 . . . . 0.0 109.741 173.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.6 m -111.96 168.87 9.25 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.41 1.084 . . . . 0.0 111.989 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -52.86 -36.01 58.43 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.703 1.201 . . . . 0.0 112.869 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -76.3 -40.4 51.71 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.3 1.04 . . . . 0.0 111.928 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -54.83 -43.95 73.44 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.61 1.164 . . . . 0.0 110.558 174.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.1 tp -74.85 -40.19 61.14 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -59.62 -41.3 90.1 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.708 0.685 . . . . 0.0 111.399 173.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.07 -34.36 73.1 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.4 1.08 . . . . 0.0 111.67 -175.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -70.16 -33.16 71.42 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.404 -0.81 . . . . 0.0 112.887 173.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -80.58 -8.85 59.74 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -175.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.11 -16.93 64.37 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.527 1.058 . . . . 0.0 113.175 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -72.7 -21.89 60.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.031 0.932 . . . . 0.0 113.35 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -89.64 -20.73 23.33 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.208 1.003 . . . . 0.0 113.048 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.5 -144.66 15.11 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.06 1.314 . . . . 0.0 112.909 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -87.55 124.9 33.97 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.076 0.95 . . . . 0.0 112.212 -170.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.0 mt -99.96 128.04 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.689 1.196 . . . . 0.0 109.922 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -90.62 -36.45 14.4 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.687 1.595 . . . . 0.0 111.712 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -166.62 152.19 8.18 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.654 1.982 . . . . 0.0 109.342 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.69 140.15 18.73 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.529 1.131 . . . . 0.0 111.225 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.7 m -151.04 159.14 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.848 1.659 . . . . 0.0 111.375 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.6 t -126.66 133.34 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.345 1.458 . . . . 0.0 107.782 169.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.445 HG13 ' CE2' ' A' ' 78' ' ' TYR . 49.2 mm -76.11 116.18 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 123.641 0.776 . . . . 0.0 110.5 -171.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.1 p -124.77 136.36 53.78 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.568 1.947 . . . . 0.0 108.743 172.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.419 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 17.6 t70 -58.36 137.05 57.5 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -169.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -57.14 -22.62 41.46 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -126.75 -16.85 5.12 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.977 1.311 . . . . 0.0 114.318 -172.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.8 p -123.85 -14.79 7.1 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 125.421 1.488 . . . . 0.0 114.447 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 59.07 15.65 4.19 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.328 1.851 . . . . 0.0 113.716 -178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -66.65 139.24 57.85 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.126 -0.984 . . . . 0.0 110.672 172.789 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.8 m -77.86 133.97 38.05 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.438 -0.789 . . . . 0.0 111.702 -176.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -84.98 -5.01 59.36 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.23 4.42 88.17 Favored Glycine 0 N--CA 1.474 1.226 0 C-N-CA 124.681 1.134 . . . . 0.0 114.163 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.451 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 27.7 p90 -146.7 162.94 37.45 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.236 1.414 . . . . 0.0 114.119 177.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.66 -172.7 13.07 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 127.246 2.355 . . . . 0.0 112.315 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -135.28 146.83 48.92 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.73 1.612 . . . . 0.0 110.726 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.8 t -134.7 140.37 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.307 1.443 . . . . 0.0 108.345 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.7 m -121.27 132.0 54.55 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 172.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 88.6 mmm -104.07 145.25 30.45 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.217 1.007 . . . . 0.0 110.774 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -67.46 -17.47 64.71 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -147.34 145.49 29.33 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.241 1.816 . . . . 0.0 110.884 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -57.77 -33.07 68.12 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.615 1.566 . . . . 0.0 112.166 174.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.59 -19.42 64.45 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.426 1.091 . . . . 0.0 113.894 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.6 m -89.09 -33.5 17.08 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.337 -0.852 . . . . 0.0 111.778 170.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.29 -36.1 71.54 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.18 -0.95 . . . . 0.0 113.531 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.95 -41.09 97.59 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.531 0.605 . . . . 0.0 111.397 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.7 mtp-105 -63.18 -27.94 69.71 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.949 0.9 . . . . 0.0 112.935 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.11 -48.76 19.48 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.713 0.805 . . . . 0.0 112.076 174.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.9 p -69.86 -19.2 63.45 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -177.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -66.33 -18.23 65.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.142 1.377 . . . . 0.0 114.684 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -121.63 82.27 40.82 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 126.114 1.766 . . . . 0.0 109.514 174.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.47 -22.27 14.18 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.149 2.566 . . . . 0.0 114.194 -169.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -122.34 75.84 43.01 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 124.222 1.009 . . . . 0.0 111.632 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.9 -14.68 12.29 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 124.018 3.146 . . . . 0.0 115.808 -174.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.9 mm 64.58 55.55 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 125.608 1.563 . . . . 0.0 111.017 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.95 118.73 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.122 -0.986 . . . . 0.0 109.808 -175.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.12 23.11 9.76 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.544 1.938 . . . . 0.0 114.182 177.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.36 32.56 6.3 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.652 1.12 . . . . 0.0 115.745 171.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.28 137.24 18.18 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.812 1.306 . . . . 0.0 109.068 175.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -62.11 102.99 0.33 Allowed 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.753 -0.592 . . . . 0.0 112.332 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.55 171.24 15.4 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.861 1.264 . . . . 0.0 111.731 173.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -137.19 95.05 3.02 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.848 2.059 . . . . 0.0 108.499 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 39' ' ' VAL . 98.4 t -96.6 123.57 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.52 1.528 . . . . 0.0 109.206 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -159.22 160.82 35.82 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.966 0.906 . . . . 0.0 112.988 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.05 142.43 42.22 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 169.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -45.8 -82.3 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.449 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -175.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -34.64 2.7 0.0 OUTLIER 'General case' 0 CA--C 1.577 2.0 1 N-CA-C 123.835 4.754 . . . . 0.0 123.835 -178.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.8 mt -84.24 -72.67 0.46 Allowed 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 124.867 3.485 . . . . 0.0 112.388 -168.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.76 9.83 72.49 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.254 1.406 . . . . 0.0 112.596 170.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.77 133.74 56.38 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.89 1.276 . . . . 0.0 111.534 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -95.86 140.98 22.54 Favored Pre-proline 0 CA--C 1.551 1.012 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -168.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -75.0 147.99 34.65 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 123.878 3.052 . . . . 0.0 110.843 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -144.23 125.99 15.18 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.614 1.166 . . . . 0.0 111.702 -172.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 21.7 p -76.86 149.09 36.16 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.249 1.42 . . . . 0.0 110.656 172.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -163.67 169.08 19.02 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.378 1.471 . . . . 0.0 112.006 -176.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.3 p -153.31 135.88 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.421 1.488 . . . . 0.0 109.686 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.13 1.772 . . . . 0.0 112.644 -169.65 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 1 O4'-C1'-N19 114.161 5.961 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.041 1 O4'-C1'-N19 112.453 4.253 . 0.133 5q . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 O4'-C1'-N19 111.602 3.402 . 0.82 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.695 0 C3'-C2'-C1' 98.87 -2.923 . 0.543 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.025 0 C3'-C2'-C1' 105.014 3.904 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 1 C3'-C2'-C1' 105.112 4.014 . 0.206 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.3 p -164.57 167.35 19.39 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.27 1.428 . . . . 0.0 111.991 -176.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.1 p -141.49 161.52 37.71 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.477 1.911 . . . . 0.0 110.722 -177.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -158.33 131.25 7.28 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.7 1.2 . . . . 0.0 111.714 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.58 3.5 0.41 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.132 1.373 . . . . 0.0 114.616 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -151.98 146.46 18.64 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.807 1.643 . . . . 0.0 110.342 -174.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -72.03 122.41 8.41 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.098 2.532 . . . . 0.0 110.937 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.4 t -145.05 129.08 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 126.122 1.769 . . . . 0.0 108.111 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -163.02 153.19 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.26 1.424 . . . . 0.0 110.441 -173.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.94 38.97 1.56 Allowed Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.831 1.682 . . . . 0.0 114.767 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.1 p -73.39 -15.76 61.35 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.609 1.163 . . . . 0.0 113.679 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -126.91 126.82 43.91 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.898 2.079 . . . . 0.0 108.844 172.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -84.55 -2.58 57.57 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -169.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.5 p -116.81 -22.41 8.57 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.015 1.726 . . . . 0.0 114.409 -171.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.0 mmt -61.45 -22.58 65.17 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -173.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -107.85 2.55 23.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.659 1.584 . . . . 0.0 113.544 -176.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.1 p -138.24 -17.95 1.16 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.164 1.386 . . . . 0.0 114.341 -172.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -89.46 124.64 34.67 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.542 1.537 . . . . 0.0 110.62 175.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.8 mt -126.37 120.66 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.362 1.465 . . . . 0.0 109.755 -169.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -82.82 138.39 33.98 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.253 1.421 . . . . 0.0 108.698 169.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.5 t -136.15 90.93 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.13 0.972 . . . . 0.0 109.617 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.46 -176.12 35.74 Favored Glycine 0 N--CA 1.47 0.92 0 C-N-CA 123.444 0.545 . . . . 0.0 112.999 175.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.9 15.03 71.19 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.18 0.895 . . . . 0.0 114.082 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.44 145.06 87.32 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 124.682 1.193 . . . . 0.0 110.057 175.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -70.02 143.29 49.15 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.18 1.92 . . . . 0.0 109.051 169.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -61.23 -13.54 19.24 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.505 1.669 . . . . 0.0 115.505 -169.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -89.74 -0.14 57.35 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.36 1.464 . . . . 0.0 114.793 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -68.15 130.04 41.74 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.742 1.217 . . . . 0.0 109.426 174.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -96.77 165.41 12.13 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.971 0.891 . . . . 0.0 112.392 173.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -55.1 -33.04 62.49 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.407 1.083 . . . . 0.0 112.743 170.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -80.9 -34.19 33.66 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.452 -0.785 . . . . 0.0 112.454 175.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.3 m -59.2 -42.28 90.53 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 119.381 0.991 . . . . 0.0 110.283 174.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 tp -70.93 -39.93 72.38 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.188 0.595 . . . . 0.0 112.57 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -60.86 -38.29 85.06 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.717 -0.615 . . . . 0.0 111.787 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -72.81 -16.8 61.61 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.8 1.24 . . . . 0.0 112.96 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -87.98 -43.16 11.95 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.948 0.794 . . . . 0.0 111.992 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -76.89 -15.91 59.55 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -7.27 41.42 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.61 -18.7 61.02 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.622 0.769 . . . . 0.0 112.824 169.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -93.93 -14.22 26.24 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.693 1.197 . . . . 0.0 113.34 -175.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.37 -146.6 18.41 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 124.639 1.114 . . . . 0.0 113.008 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -88.18 123.11 32.49 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.189 0.996 . . . . 0.0 112.16 -170.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.4 mt -93.04 132.9 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.353 1.061 . . . . 0.0 109.982 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -97.15 -32.43 11.95 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.02 2.128 . . . . 0.0 112.113 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -161.06 147.47 14.8 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.979 2.112 . . . . 0.0 108.403 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.21 135.88 18.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.376 1.07 . . . . 0.0 110.553 173.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.3 m -152.85 160.31 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.326 1.45 . . . . 0.0 111.9 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.6 t -129.06 128.74 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 167.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.445 HG13 ' CE1' ' A' ' 78' ' ' TYR . 48.3 mm -77.99 111.64 15.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 124.065 0.946 . . . . 0.0 110.728 -169.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.4 p -120.53 137.22 54.49 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 126.638 1.975 . . . . 0.0 109.26 175.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.58 136.66 54.44 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -174.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -7.25 6.3 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 -176.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -128.06 -33.13 2.23 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.875 1.67 . . . . 0.0 113.042 -178.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.9 p -116.95 -14.86 10.65 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.811 1.644 . . . . 0.0 113.896 -172.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 59.36 16.94 5.46 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.654 1.982 . . . . 0.0 113.559 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 136.21 51.85 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.103 0.961 . . . . 0.0 109.917 172.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.7 t -78.73 142.88 36.7 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.08 -1.012 . . . . 0.0 112.022 -177.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -80.26 -10.14 59.75 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 170.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.17 9.5 86.54 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 123.838 0.732 . . . . 0.0 113.578 -171.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.445 ' CE1' HG13 ' A' ' 67' ' ' ILE . 9.6 p90 -137.52 158.15 45.01 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.707 1.254 . . . . 0.0 114.043 174.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.28 -171.79 13.32 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 127.355 2.407 . . . . 0.0 112.377 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -135.42 150.95 50.0 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.546 1.538 . . . . 0.0 110.89 175.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.6 t -138.13 129.53 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.38 1.472 . . . . 0.0 107.885 169.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.5 m -112.96 133.61 54.85 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 174.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 82.4 mmm -102.59 142.4 33.83 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.353 1.061 . . . . 0.0 110.408 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -64.22 -19.25 65.23 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -154.22 152.43 30.32 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.966 1.306 . . . . 0.0 112.235 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -57.46 -29.48 64.25 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.629 1.171 . . . . 0.0 113.276 178.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.16 -25.53 65.31 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.732 1.151 . . . . 0.0 113.379 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.1 m -84.86 -34.96 22.52 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.631 -0.668 . . . . 0.0 111.43 171.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.97 82.07 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.207 -0.933 . . . . 0.0 113.036 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -60.48 -34.77 74.52 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.247 1.019 . . . . 0.0 112.644 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -72.72 -38.04 67.58 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.141 0.576 . . . . 0.0 111.73 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.11 -39.88 63.06 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.7 p -74.19 -14.9 61.01 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -18.63 59.83 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -169.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -112.04 104.94 56.4 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 125.252 1.421 . . . . 0.0 109.07 169.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.26 -17.81 12.98 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.923 2.415 . . . . 0.0 113.106 -176.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -136.88 77.51 43.93 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.742 1.217 . . . . 0.0 111.825 -175.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.73 -13.84 14.35 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 124.099 3.199 . . . . 0.0 115.892 -174.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.4 mm 64.59 54.97 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 125.605 1.562 . . . . 0.0 111.33 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -69.87 120.68 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.323 1.049 . . . . 0.0 110.343 -174.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.22 21.81 9.98 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.848 2.059 . . . . 0.0 114.129 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.32 28.9 8.75 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.595 1.093 . . . . 0.0 115.438 173.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -150.0 139.35 21.37 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.071 1.348 . . . . 0.0 109.831 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -64.69 102.82 0.61 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.475 0.655 . . . . 0.0 112.418 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.42 163.44 24.79 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.665 1.186 . . . . 0.0 110.338 169.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -132.91 106.17 7.54 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.674 1.59 . . . . 0.0 108.393 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.5 t -108.61 125.78 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.318 1.447 . . . . 0.0 110.273 -169.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -166.04 163.88 18.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.958 1.303 . . . . 0.0 112.507 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.6 mt -55.87 152.21 10.32 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.745 0.818 . . . . 0.0 111.277 174.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -49.79 -89.21 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.277 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -35.69 13.51 0.0 OUTLIER 'General case' 0 CA--C 1.577 2.012 1 N-CA-C 123.553 4.649 . . . . 0.0 123.553 176.061 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.9 mt -89.88 -78.77 0.36 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 124.336 3.244 . . . . 0.0 111.883 -172.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -84.7 12.58 56.23 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.393 1.473 . . . . 0.0 112.976 172.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.04 154.07 38.87 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.762 1.625 . . . . 0.0 113.276 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -128.86 150.04 74.0 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 125.242 1.417 . . . . 0.0 112.631 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.45 145.56 18.77 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.105 2.537 . . . . 0.0 112.366 -173.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -150.69 148.12 28.19 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.218 2.207 . . . . 0.0 109.699 170.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.3 p -142.97 150.37 39.6 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.807 1.643 . . . . 0.0 111.376 -174.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -165.32 -48.45 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.576 1.551 . . . . 0.0 111.816 178.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.8 m -146.53 148.17 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 126.736 2.014 . . . . 0.0 109.861 172.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 C--O 1.252 1.192 0 C-N-CA 126.052 1.741 . . . . 0.0 111.503 -177.019 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C3'-C2'-C1' 105.09 3.989 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 O4'-C1'-N19 112.14 3.94 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 0 C5'-C4'-C3' 110.877 -3.082 . 0.511 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 O4'-C1'-N19 110.697 2.497 . 0.774 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.918 1 C3'-C2'-C1' 106.153 5.17 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C3'-C2'-C1' 104.055 2.839 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -64.72 -17.5 64.18 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -173.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.6 p -61.0 -20.19 62.2 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.3 1.44 . . . . 0.0 113.151 172.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -62.06 -18.11 59.6 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.467 1.107 . . . . 0.0 113.503 173.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.01 -4.73 58.63 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.442 1.097 . . . . 0.0 113.768 173.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 60.71 75.96 0.44 Allowed Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 127.457 2.303 . . . . 0.0 112.958 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.47 140.35 89.04 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 124.263 3.309 . . . . 0.0 112.605 175.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 p -164.13 162.33 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.225 1.41 . . . . 0.0 110.738 -173.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 p -153.81 139.71 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.961 1.704 . . . . 0.0 110.34 -176.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.7 -118.63 6.21 Favored Glycine 0 N--CA 1.468 0.776 0 C-N-CA 125.022 1.296 . . . . 0.0 111.478 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -63.54 -7.43 7.0 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -172.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -126.82 -0.59 6.66 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.675 1.59 . . . . 0.0 114.088 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -167.82 131.47 1.69 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.256 1.423 . . . . 0.0 112.087 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.7 p -132.12 8.38 4.38 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.728 1.211 . . . . 0.0 113.97 -175.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 51.6 ttm -56.19 -30.28 62.04 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.668 1.187 . . . . 0.0 113.947 -174.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -116.01 16.43 16.09 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.886 1.275 . . . . 0.0 112.952 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.05 -22.8 2.53 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.914 1.286 . . . . 0.0 113.786 177.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -88.65 133.05 34.31 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.97 1.308 . . . . 0.0 111.37 172.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.8 mt -130.57 120.76 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 126.609 1.964 . . . . 0.0 109.228 -169.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -84.43 137.93 33.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.749 1.219 . . . . 0.0 108.36 168.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.411 HG13 HG22 ' A' ' 107' ' ' VAL . 53.9 t -137.52 90.86 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.02 0.928 . . . . 0.0 109.701 -176.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.88 -176.02 30.74 Favored Glycine 0 N--CA 1.47 0.94 0 C-N-CA 122.981 0.324 . . . . 0.0 113.187 174.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.85 16.94 76.52 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.778 0.704 . . . . 0.0 113.835 -176.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.2 mt -73.96 147.36 86.09 Favored Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 125.106 1.362 . . . . 0.0 109.548 172.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.52 151.86 53.54 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.03 1.82 . . . . 0.0 109.368 169.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -64.11 -11.02 26.12 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -171.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -92.32 -5.24 52.63 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.4 m -66.9 139.87 57.75 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.951 1.301 . . . . 0.0 110.291 174.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.2 m -115.5 168.52 9.92 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.229 1.012 . . . . 0.0 112.411 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -57.87 -35.88 71.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.51 1.124 . . . . 0.0 113.063 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -69.91 -40.65 75.45 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.781 -0.575 . . . . 0.0 111.613 174.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.9 m -57.85 -44.71 86.71 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.235 1.414 . . . . 0.0 110.606 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.0 tp -73.92 -36.21 64.69 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -60.0 -42.84 95.13 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.747 0.703 . . . . 0.0 111.113 171.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.32 -41.11 85.81 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.114 0.965 . . . . 0.0 111.73 -176.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -65.87 -32.44 73.96 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -83.17 -7.24 59.65 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -175.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -66.56 -17.99 65.12 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.727 1.149 . . . . 0.0 113.019 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -71.23 -16.86 62.52 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.01 0.924 . . . . 0.0 113.363 174.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -96.89 -12.85 22.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.601 1.16 . . . . 0.0 112.961 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.69 -160.28 23.97 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.6 1.571 . . . . 0.0 112.824 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -76.93 139.38 40.16 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.334 1.454 . . . . 0.0 112.251 -175.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.6 mt -116.96 130.65 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.341 1.456 . . . . 0.0 110.473 -168.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.75 -47.91 28.48 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.879 1.272 . . . . 0.0 111.204 173.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -168.91 151.39 4.89 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.532 1.933 . . . . 0.0 109.168 -172.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.77 146.37 30.25 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.827 1.251 . . . . 0.0 110.558 172.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.5 m -150.04 157.22 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.804 1.642 . . . . 0.0 111.203 -173.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.9 t -125.55 131.93 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.186 1.394 . . . . 0.0 107.487 169.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.435 HG13 ' CE2' ' A' ' 78' ' ' TYR . 50.3 mm -77.64 111.73 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 123.818 0.847 . . . . 0.0 110.775 -169.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.3 p -117.09 133.28 56.2 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.726 2.01 . . . . 0.0 108.577 171.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.434 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 8.7 t70 -55.53 131.98 47.48 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -168.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.7 mtp-105 -58.05 -22.5 50.37 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -107.41 -38.28 5.99 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.21 1.804 . . . . 0.0 112.442 -174.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 p -120.24 -10.41 9.36 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -172.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 60.74 12.84 3.96 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.846 2.058 . . . . 0.0 113.85 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.434 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -72.37 138.29 47.13 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.919 -1.113 . . . . 0.0 110.73 175.587 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -74.54 135.29 42.15 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.378 -0.826 . . . . 0.0 111.793 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -82.69 -10.34 58.96 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.83 9.57 82.59 Favored Glycine 0 N--CA 1.473 1.151 0 C-N-CA 123.996 0.808 . . . . 0.0 113.717 -173.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.435 ' CE2' HG13 ' A' ' 67' ' ' ILE . 8.6 p90 -142.63 161.32 38.38 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.632 1.173 . . . . 0.0 114.075 175.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.56 -172.3 15.04 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 127.39 2.424 . . . . 0.0 112.607 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -136.48 149.6 48.27 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.183 1.793 . . . . 0.0 110.759 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.5 t -137.72 142.17 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 126.018 1.727 . . . . 0.0 108.43 174.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.9 m -127.31 135.67 50.87 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.86 0.864 . . . . 0.0 108.994 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 90.3 mmm -102.47 142.89 32.92 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.435 1.094 . . . . 0.0 111.574 -173.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -69.76 -19.75 63.51 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.917 1.081 . . . . 0.0 113.917 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -136.66 145.32 44.67 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.363 1.465 . . . . 0.0 111.031 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -67.05 -35.18 79.3 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.276 1.03 . . . . 0.0 112.743 -171.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.59 -30.04 69.55 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 173.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 m -68.55 -29.92 68.59 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.751 -1.218 . . . . 0.0 112.589 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.24 -30.73 66.69 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.308 -0.87 . . . . 0.0 112.16 169.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.08 -26.91 63.26 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.9 mtt85 -70.14 -33.5 71.87 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.336 -0.852 . . . . 0.0 111.435 170.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.23 -48.28 29.88 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.043 0.937 . . . . 0.0 112.932 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.4 p -70.87 -16.32 62.69 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm -68.35 -15.83 63.71 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 173.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -119.82 88.4 39.87 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 124.761 1.225 . . . . 0.0 109.638 169.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -76.89 -20.87 12.91 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.352 2.701 . . . . 0.0 113.093 -174.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -128.68 73.08 81.13 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.59 1.156 . . . . 0.0 112.093 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.36 -11.75 10.61 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 124.512 3.475 . . . . 0.0 115.798 -173.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 mm 64.55 55.88 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 125.776 1.63 . . . . 0.0 111.148 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.3 mt -70.0 123.68 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.052 -1.03 . . . . 0.0 109.508 -177.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 t0 64.65 13.6 8.44 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.684 1.594 . . . . 0.0 113.666 171.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.24 36.22 5.25 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.554 1.55 . . . . 0.0 115.205 176.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -152.9 144.2 23.22 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.437 1.118 . . . . 0.0 109.407 169.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -62.99 96.05 0.09 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.404 0.682 . . . . 0.0 111.849 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.06 164.79 25.53 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.169 0.988 . . . . 0.0 111.013 174.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -134.47 92.84 2.97 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.924 1.69 . . . . 0.0 107.817 -176.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.411 HG22 HG13 ' A' ' 39' ' ' VAL . 98.2 t -100.53 124.33 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.736 1.614 . . . . 0.0 109.59 -170.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -164.56 159.71 19.49 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.318 1.047 . . . . 0.0 112.667 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.3 mt -52.59 146.11 10.62 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.6 0.76 . . . . 0.0 110.189 169.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.15 -85.79 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -176.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -30.19 3.4 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.028 1 N-CA-C 124.275 4.917 . . . . 0.0 124.275 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 mt -87.28 -74.72 0.43 Allowed 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 124.759 3.436 . . . . 0.0 112.058 -169.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.19 11.22 63.57 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.354 1.454 . . . . 0.0 112.782 171.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.12 132.09 52.49 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.249 1.42 . . . . 0.0 111.651 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -90.66 153.18 45.62 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 124.515 1.126 . . . . 0.0 113.315 -169.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.45 137.38 65.16 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 124.284 3.323 . . . . 0.0 111.277 168.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -161.45 148.3 14.54 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.64 1.176 . . . . 0.0 111.132 -175.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.6 t -58.63 138.77 56.73 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.121 1.368 . . . . 0.0 111.813 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -158.9 155.95 28.64 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.663 1.985 . . . . 0.0 110.89 -170.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.9 p -160.54 143.54 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.412 1.485 . . . . 0.0 110.667 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.059 1.744 . . . . 0.0 111.361 -177.349 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 1 C3'-C2'-C1' 105.527 4.474 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 0 O4'-C1'-N19 111.876 3.676 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 1 C5'-C4'-C3' 109.378 -4.081 . 0.616 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C3'-C2'-C1' 99.136 -2.626 . 0.534 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.032 0 C3'-C2'-C1' 105.058 3.953 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.453 1 C3'-C2'-C1' 105.753 4.726 . 0.192 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.8 p -91.9 -6.64 51.09 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.6 p -83.87 160.55 21.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.055 1.742 . . . . 0.0 112.168 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -93.54 16.06 14.56 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.653 1.581 . . . . 0.0 114.114 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.45 163.27 39.35 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.605 1.562 . . . . 0.0 112.298 -173.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -73.48 150.07 89.02 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.092 0.957 . . . . 0.0 112.359 -176.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.87 155.98 35.51 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.223 3.282 . . . . 0.0 113.66 174.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.5 t -71.41 118.92 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.772 0.829 . . . . 0.0 109.463 174.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.7 p -145.94 17.48 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 124.963 1.305 . . . . 0.0 112.631 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.61 -162.11 35.19 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 125.262 1.411 . . . . 0.0 113.042 -177.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -160.61 174.09 14.53 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.781 1.233 . . . . 0.0 111.853 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -157.65 122.7 4.45 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.642 1.577 . . . . 0.0 110.362 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 48.09 -118.75 1.02 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.005 1.722 . . . . 0.0 110.967 -174.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.4 p -121.88 16.46 10.95 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.054 1.742 . . . . 0.0 112.28 171.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 53.2 ttm -56.19 -30.49 62.34 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.54 1.136 . . . . 0.0 113.362 -175.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -112.44 9.06 19.62 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.64 1.176 . . . . 0.0 113.589 -176.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.3 p -133.78 -20.21 2.01 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.535 1.134 . . . . 0.0 113.923 -176.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -88.34 134.18 33.89 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.476 1.131 . . . . 0.0 111.159 169.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.0 mt -126.69 122.68 61.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 127.133 2.173 . . . . 0.0 108.121 -168.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -77.91 135.47 37.88 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.963 1.305 . . . . 0.0 108.416 168.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 t -135.53 78.66 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 124.286 1.034 . . . . 0.0 109.297 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.34 177.5 50.38 Favored Glycine 0 N--CA 1.466 0.641 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.38 169.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.39 22.99 66.34 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.782 1.182 . . . . 0.0 113.986 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.5 mt -80.97 151.15 70.11 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 125.314 1.446 . . . . 0.0 110.725 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.22 143.28 31.67 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.033 1.822 . . . . 0.0 108.322 167.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.09 -12.33 18.7 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -169.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -91.15 1.12 57.33 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.487 1.515 . . . . 0.0 114.803 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.4 m -66.69 135.01 53.4 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.812 1.245 . . . . 0.0 109.401 171.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.9 m -109.9 168.7 9.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.977 0.911 . . . . 0.0 112.086 175.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.94 -38.48 72.98 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.623 1.169 . . . . 0.0 112.315 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -72.92 -36.25 67.21 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.884 0.874 . . . . 0.0 112.31 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 m -57.81 -41.08 81.43 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.928 1.291 . . . . 0.0 110.801 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 tp -73.04 -40.43 65.13 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.608 0.763 . . . . 0.0 112.502 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -59.63 -38.2 80.72 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.701 -0.624 . . . . 0.0 111.715 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -72.12 -14.46 61.84 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.974 1.31 . . . . 0.0 113.266 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -91.23 -41.22 11.09 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.232 0.924 . . . . 0.0 112.555 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.08 -14.19 59.3 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -174.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -6.96 40.97 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -179.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -76.54 -17.32 59.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.873 0.869 . . . . 0.0 112.95 170.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -95.5 -14.66 23.49 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.626 1.17 . . . . 0.0 113.456 -175.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.98 -146.76 18.23 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.641 1.115 . . . . 0.0 112.723 -178.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -89.34 123.48 33.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.065 0.946 . . . . 0.0 112.292 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.8 mt -95.68 128.3 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.404 1.082 . . . . 0.0 109.692 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -81.28 -45.92 15.52 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.075 1.75 . . . . 0.0 110.282 174.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -164.75 148.62 9.02 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.694 1.997 . . . . 0.0 109.584 177.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.49 142.54 32.29 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.644 1.178 . . . . 0.0 110.954 176.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.3 m -148.86 157.06 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.945 1.298 . . . . 0.0 112.277 -173.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.4 t -120.47 134.48 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.921 1.689 . . . . 0.0 107.87 169.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 30.6 mm -84.69 99.47 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.533 1.133 . . . . 0.0 109.93 -169.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.5 p -117.57 111.98 19.94 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 127.731 2.413 . . . . 0.0 109.747 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.417 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 12.5 t70 -30.87 134.41 0.06 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 128.892 2.877 . . . . 0.0 118.765 -166.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.6 mtt85 -56.31 -27.08 54.38 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -119.31 -25.38 6.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.31 1.444 . . . . 0.0 114.007 -171.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.5 p -119.48 -12.18 9.38 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.074 1.35 . . . . 0.0 114.506 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 59.04 17.73 5.72 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.556 1.942 . . . . 0.0 113.405 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -76.86 136.34 38.88 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.13 1.372 . . . . 0.0 110.59 174.784 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.5 t -69.88 137.38 51.6 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.988 -1.07 . . . . 0.0 111.527 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -89.31 2.41 54.39 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.972 0.909 . . . . 0.0 113.232 173.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.8 8.92 83.68 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 124.56 1.076 . . . . 0.0 113.984 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -138.57 155.56 48.25 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.56 -179.11 16.89 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 127.486 2.47 . . . . 0.0 112.12 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -136.13 145.86 46.32 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.456 1.502 . . . . 0.0 110.19 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.0 t -134.81 125.88 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.787 1.235 . . . . 0.0 109.054 176.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.6 m -106.98 125.78 51.45 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.383 1.073 . . . . 0.0 108.493 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 80.3 mmm -95.0 151.04 19.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.895 1.278 . . . . 0.0 110.3 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -72.75 -17.1 61.63 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -156.22 153.64 29.5 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.172 1.389 . . . . 0.0 112.216 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -57.46 -28.69 63.58 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.387 1.075 . . . . 0.0 113.286 178.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.05 -24.92 63.34 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.2 m -84.73 -33.75 23.03 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.427 -0.796 . . . . 0.0 111.291 169.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.69 -34.77 74.39 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.17 -42.61 88.68 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.907 0.776 . . . . 0.0 111.056 175.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -61.04 -31.48 71.12 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.385 1.074 . . . . 0.0 111.864 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.59 -12.09 60.0 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.2 p -108.97 -0.84 19.39 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -60.12 -28.59 67.99 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -122.54 111.37 31.56 Favored Pre-proline 0 CA--C 1.547 0.827 0 C-N-CA 126.128 1.771 . . . . 0.0 109.389 170.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -79.85 -12.38 13.48 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.136 2.558 . . . . 0.0 113.489 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -132.48 71.01 79.49 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 124.928 1.291 . . . . 0.0 112.218 -178.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -79.41 -11.53 14.4 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 124.376 3.384 . . . . 0.0 116.561 -171.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.3 mm 64.86 60.49 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 125.969 1.707 . . . . 0.0 111.449 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.0 mt -71.76 117.28 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.095 -1.003 . . . . 0.0 110.165 -176.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 t70 61.27 15.92 6.86 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.028 2.131 . . . . 0.0 114.796 174.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.24 34.52 3.64 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.081 1.324 . . . . 0.0 115.619 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -154.04 141.77 20.0 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.843 1.257 . . . . 0.0 109.606 172.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -66.62 103.03 0.99 Allowed 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.713 -0.617 . . . . 0.0 111.857 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.1 161.75 29.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.27 1.028 . . . . 0.0 111.105 175.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -127.33 110.58 12.96 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.157 1.383 . . . . 0.0 108.361 171.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 58.2 t -113.95 122.67 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.865 1.266 . . . . 0.0 110.38 -169.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -165.76 163.67 18.9 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.897 1.679 . . . . 0.0 111.615 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.7 mt -56.26 146.26 24.24 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.436 0.694 . . . . 0.0 111.314 174.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -49.05 -84.7 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -29.95 0.38 0.0 OUTLIER 'General case' 0 CA--C 1.574 1.903 1 N-CA-C 124.056 4.835 . . . . 0.0 124.056 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.6 mt -84.63 -58.3 2.78 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 124.238 3.199 . . . . 0.0 111.628 -169.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -93.28 13.93 66.46 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.601 1.572 . . . . 0.0 113.579 174.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.59 137.04 58.15 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.777 1.631 . . . . 0.0 113.067 -174.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -95.2 149.5 36.3 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 124.036 0.935 . . . . 0.0 112.466 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -76.44 169.96 20.89 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.745 2.963 . . . . 0.0 112.074 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -134.48 13.51 3.78 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.631 1.572 . . . . 0.0 113.239 176.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 68.1 p 49.9 40.9 21.87 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 127.812 2.445 . . . . 0.0 114.022 172.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -67.09 149.84 49.99 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.901 0.88 . . . . 0.0 112.328 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.8 p -163.45 138.67 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.372 1.869 . . . . 0.0 109.788 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.025 1.73 . . . . 0.0 111.548 -175.292 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ' G' . . . . . 0.42 H5'' ' C5 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.524 2 O4'-C1'-N19 114.657 6.457 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.42 ' C5 ' H5'' ' B' ' 7' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.417 1 C5'-C4'-C3' 109.463 -4.025 . 0.186 5q . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 O4'-C1'-N19 111.713 3.513 . 0.612 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.978 2 O4'-C1'-N19 112.814 4.614 . 0.598 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.959 1 C3'-C2'-C1' 106.141 5.156 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.019 0 O4'-C1'-N19 111.687 3.487 . 0.118 3b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.8 p -141.38 -20.05 0.77 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -99.33 128.18 45.42 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.101 1.36 . . . . 0.0 110.451 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.0 mt -125.41 119.63 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.514 1.526 . . . . 0.0 109.803 -168.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -81.56 137.07 35.58 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 167.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -134.83 92.27 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 123.961 0.904 . . . . 0.0 109.45 -176.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.53 -175.26 31.18 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.389 0.519 . . . . 0.0 113.375 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.09 17.52 71.96 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.347 0.975 . . . . 0.0 114.24 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.25 151.28 92.22 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 125.118 1.367 . . . . 0.0 110.64 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.22 141.9 36.69 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 121.958 1.772 . . . . 0.0 108.47 168.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -62.87 -11.77 20.49 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.948 1.833 . . . . 0.0 115.948 -168.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -87.39 -3.1 59.01 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -66.73 133.97 51.27 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.018 1.327 . . . . 0.0 109.97 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.2 m -110.71 169.49 8.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.387 1.075 . . . . 0.0 111.816 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -56.11 -37.1 68.95 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.32 1.048 . . . . 0.0 112.92 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -71.85 -36.97 70.32 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 173.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.2 m -59.84 -42.04 92.71 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.079 1.352 . . . . 0.0 110.434 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.0 tp -73.19 -40.46 64.75 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.82 0.848 . . . . 0.0 112.441 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.36 -37.26 82.71 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.61 -0.682 . . . . 0.0 111.971 174.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -72.91 -13.29 61.23 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.927 1.291 . . . . 0.0 112.848 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -95.16 -40.72 9.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.913 0.779 . . . . 0.0 112.615 171.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -75.47 -14.11 60.41 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -7.24 37.76 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -76.95 -19.05 57.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.844 0.857 . . . . 0.0 113.032 170.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -93.44 -13.12 28.33 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.377 1.071 . . . . 0.0 113.08 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.55 -147.22 19.11 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 125.224 1.392 . . . . 0.0 112.856 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -87.55 121.5 30.07 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.888 0.875 . . . . 0.0 112.522 -169.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.6 mt -92.14 129.25 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.496 1.118 . . . . 0.0 109.898 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -83.27 -44.83 14.51 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.852 1.661 . . . . 0.0 110.454 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -164.15 151.05 11.61 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.398 1.879 . . . . 0.0 109.696 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.13 146.46 32.78 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.941 1.296 . . . . 0.0 111.099 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.9 m -151.99 160.8 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.988 1.715 . . . . 0.0 111.536 -174.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.5 t -130.06 134.57 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.434 1.494 . . . . 0.0 107.932 169.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.415 HG13 ' CE2' ' A' ' 78' ' ' TYR . 36.3 mm -80.89 111.42 17.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 C-N-CA 123.598 0.759 . . . . 0.0 111.38 -169.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.466 0.367 0 C-N-CA 126.989 2.116 . . . . 0.0 108.907 171.852 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.2 m . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 110.793 -0.077 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 -82.82 -0.12 46.52 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.16 4.76 83.78 Favored Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.893 1.235 . . . . 0.0 114.194 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CE2' HG13 ' A' ' 67' ' ' ILE . 23.9 p90 -143.21 160.68 40.0 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.76 -169.92 12.21 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 127.289 2.376 . . . . 0.0 112.371 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -137.11 150.1 47.77 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.465 1.506 . . . . 0.0 111.259 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.48 132.55 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.43 1.492 . . . . 0.0 108.402 172.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.6 m -113.98 133.03 55.75 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 172.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.0 mmm -103.24 148.17 26.14 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.502 1.121 . . . . 0.0 110.824 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -70.17 -16.03 63.03 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -154.89 152.01 29.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.247 1.419 . . . . 0.0 111.55 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 53.3 mtt85 -55.68 -33.01 63.75 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.21 1.404 . . . . 0.0 112.231 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.59 -18.66 64.37 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.539 1.136 . . . . 0.0 113.818 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.2 m -91.47 -29.91 16.76 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.039 -1.038 . . . . 0.0 112.169 171.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.87 -34.37 60.02 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.122 -0.986 . . . . 0.0 113.266 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.38 -38.15 90.04 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.626 0.648 . . . . 0.0 112.458 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -67.82 -26.97 66.33 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.667 1.187 . . . . 0.0 112.592 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.44 -51.0 11.51 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.784 0.834 . . . . 0.0 111.75 173.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.5 p -67.35 -19.21 65.41 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -64.33 -13.92 53.13 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 170.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -122.04 92.89 48.81 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 124.848 1.259 . . . . 0.0 109.695 169.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -75.98 -22.1 13.46 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.338 2.692 . . . . 0.0 113.146 -173.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -132.97 75.08 72.91 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.501 1.12 . . . . 0.0 112.003 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -81.1 -12.84 11.64 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 124.291 3.327 . . . . 0.0 116.191 -172.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 65.08 56.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 125.836 1.655 . . . . 0.0 111.401 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.66 119.2 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.104 -0.998 . . . . 0.0 110.276 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.48 19.07 6.19 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.641 1.976 . . . . 0.0 114.704 175.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.21 34.88 4.66 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.969 1.271 . . . . 0.0 115.515 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -152.66 142.27 21.84 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 118.755 1.277 . . . . 0.0 110.49 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -65.77 99.54 0.47 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.82 0.819 . . . . 0.0 112.072 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.94 169.09 18.75 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.739 1.216 . . . . 0.0 111.437 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -139.6 96.32 3.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.352 1.861 . . . . 0.0 108.815 -172.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 80.2 t -100.51 124.7 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.279 1.432 . . . . 0.0 109.354 -172.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -156.9 149.85 23.79 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.74 0.816 . . . . 0.0 113.0 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.8 mt -64.43 118.76 9.22 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.693 0.797 . . . . 0.0 108.918 170.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 1.177 0 N-CA-C 117.449 2.388 . . . . 0.0 117.449 -169.339 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.2 p -140.28 -23.17 0.82 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.75 125.69 35.39 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.659 1.184 . . . . 0.0 110.712 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.1 mt -121.5 120.52 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 126.139 1.776 . . . . 0.0 108.724 -170.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -80.55 137.7 36.43 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.136 1.374 . . . . 0.0 108.723 169.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.6 t -137.98 93.75 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.063 0.945 . . . . 0.0 109.633 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.401 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -104.2 -175.42 25.36 Favored Glycine 0 N--CA 1.47 0.921 0 C-N-CA 123.212 0.434 . . . . 0.0 113.612 175.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.71 17.36 73.0 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 123.96 0.79 . . . . 0.0 113.604 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.07 146.6 90.16 Favored Pre-proline 0 CA--C 1.541 0.628 0 C-N-CA 124.87 1.268 . . . . 0.0 110.344 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.14 142.81 42.76 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.23 1.953 . . . . 0.0 109.023 169.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -62.41 -11.98 18.89 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 -169.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -89.75 -0.66 57.68 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.446 1.498 . . . . 0.0 114.807 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.5 m -67.84 137.54 55.4 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.166 1.387 . . . . 0.0 109.734 173.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.0 p -111.56 169.43 8.82 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.965 0.906 . . . . 0.0 112.308 171.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -58.72 -29.38 66.65 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.37 -0.831 . . . . 0.0 112.702 171.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -72.0 -45.85 59.42 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.888 0.875 . . . . 0.0 111.268 171.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.2 m -56.0 -44.43 78.62 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.814 1.246 . . . . 0.0 110.939 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.8 tp -73.7 -39.51 64.3 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.736 0.815 . . . . 0.0 112.577 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -60.38 -38.93 85.47 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.551 -0.718 . . . . 0.0 111.463 172.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -71.91 -16.03 62.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.299 1.04 . . . . 0.0 113.253 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -87.39 -42.25 12.98 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.252 0.933 . . . . 0.0 112.101 169.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -79.6 -17.56 53.6 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -174.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -8.28 45.44 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -72.0 -20.08 61.77 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.565 0.746 . . . . 0.0 112.791 170.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -92.82 -13.6 28.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.871 1.268 . . . . 0.0 112.848 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.94 -166.43 24.35 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.697 1.618 . . . . 0.0 112.659 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.39 136.78 56.93 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.882 1.273 . . . . 0.0 113.829 -174.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.9 mt -109.96 130.92 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.919 1.688 . . . . 0.0 109.711 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -72.53 -49.21 34.39 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.033 1.333 . . . . 0.0 110.964 170.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -166.14 147.82 6.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.675 1.99 . . . . 0.0 109.268 -173.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.32 148.89 46.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.37 1.468 . . . . 0.0 110.229 174.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.5 m -149.35 158.21 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.368 1.467 . . . . 0.0 111.097 -177.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 80.9 t -128.21 138.28 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.527 1.531 . . . . 0.0 107.175 168.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.1 mm -85.26 92.94 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 C-N-CA 124.07 0.948 . . . . 0.0 108.934 -171.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.471 0.602 0 C-N-CA 129.971 3.308 . . . . 0.0 108.2 -179.833 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.4 mtt85 -93.16 1.37 57.17 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.309 1.444 . . . . 0.0 113.096 172.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.15 10.91 70.64 Favored Glycine 0 N--CA 1.474 1.231 0 C-N-CA 124.895 1.236 . . . . 0.0 114.664 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.401 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 15.9 p90 -150.75 168.67 23.7 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -178.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -154.63 -171.56 21.58 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 127.767 2.603 . . . . 0.0 112.493 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -139.05 150.68 46.04 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.817 1.647 . . . . 0.0 111.099 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.51 132.14 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.307 1.443 . . . . 0.0 108.468 171.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.1 m -115.26 128.12 55.93 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.643 0.777 . . . . 0.0 109.008 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 74.7 mmm -94.51 145.19 24.97 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.472 1.109 . . . . 0.0 110.993 -175.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -66.65 -24.72 66.33 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -138.97 149.37 44.65 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.51 1.124 . . . . 0.0 112.681 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -59.1 -32.69 70.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.711 1.205 . . . . 0.0 112.314 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.32 90.6 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.09 0.859 . . . . 0.0 112.119 175.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 m -69.33 -31.05 69.26 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.184 -0.947 . . . . 0.0 112.396 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.37 -38.74 63.1 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.489 -0.757 . . . . 0.0 112.704 172.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -61.22 -39.69 91.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.57 0.748 . . . . 0.0 111.5 171.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -65.91 -32.43 73.93 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.937 0.895 . . . . 0.0 112.602 173.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.2 -33.17 59.28 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.6 p -76.66 -5.2 46.9 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.09 -25.63 67.81 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -124.38 108.18 29.47 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.246 1.418 . . . . 0.0 109.615 172.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -79.21 -14.61 13.22 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.073 2.515 . . . . 0.0 113.209 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -138.14 72.79 45.77 Favored Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 124.901 1.28 . . . . 0.0 111.362 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.04 -10.16 15.28 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 124.369 3.38 . . . . 0.0 116.385 -169.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.3 mm 65.43 55.59 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 125.442 1.497 . . . . 0.0 111.285 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.7 mt -67.24 120.65 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.437 1.095 . . . . 0.0 110.365 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.66 22.87 8.77 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.755 2.022 . . . . 0.0 114.223 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.6 26.44 9.91 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.693 1.14 . . . . 0.0 115.46 172.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -148.4 138.28 22.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.047 1.424 . . . . 0.0 110.382 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.85 104.64 0.71 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.605 0.762 . . . . 0.0 112.612 -173.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.12 171.76 13.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.56 1.144 . . . . 0.0 111.325 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -136.55 112.77 9.82 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.382 1.873 . . . . 0.0 108.808 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 84.2 t -115.13 127.56 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.517 1.527 . . . . 0.0 110.27 -171.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -165.85 155.49 12.25 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.594 1.158 . . . . 0.0 113.014 171.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.3 mt -53.78 137.05 39.0 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 167.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.283 0 N-CA-C 116.631 2.085 . . . . 0.0 116.631 -169.58 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 CA--C 1.543 0.703 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.4 p -143.31 -25.31 0.59 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.393 1.477 . . . . 0.0 114.192 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -84.9 123.74 30.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.705 1.202 . . . . 0.0 110.333 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 22.4 mt -122.52 120.35 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 126.159 1.783 . . . . 0.0 108.881 -171.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -84.3 134.48 34.51 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.087 1.355 . . . . 0.0 107.772 168.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.6 t -135.88 92.68 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.919 0.888 . . . . 0.0 109.394 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.412 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -105.29 -175.42 24.27 Favored Glycine 0 N--CA 1.468 0.773 0 C-N-CA 123.239 0.447 . . . . 0.0 113.757 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.4 24.1 76.99 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 123.438 0.542 . . . . 0.0 113.393 -172.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.6 mt -78.99 152.41 76.95 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 125.181 1.392 . . . . 0.0 109.837 171.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -76.08 154.9 37.84 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.277 1.985 . . . . 0.0 109.847 169.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -68.34 -5.14 17.17 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -172.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -97.54 -3.77 39.11 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.6 m -68.72 142.49 54.98 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.291 1.437 . . . . 0.0 110.571 176.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -116.76 169.66 9.2 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.471 1.109 . . . . 0.0 112.524 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -57.46 -41.69 81.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.746 1.219 . . . . 0.0 112.61 -175.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -71.58 -34.39 69.9 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.525 0.73 . . . . 0.0 112.765 175.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.1 m -57.18 -39.14 74.75 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.585 1.154 . . . . 0.0 110.96 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.0 tp -77.29 -40.01 45.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.652 0.781 . . . . 0.0 112.809 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.44 -39.59 80.26 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.693 -0.63 . . . . 0.0 111.777 173.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -74.43 -11.71 60.31 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.426 1.49 . . . . 0.0 112.932 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -92.76 -42.42 9.59 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.082 0.855 . . . . 0.0 112.028 169.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -77.29 -15.61 59.35 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -6.4 30.58 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 178.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -74.9 -19.4 60.16 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.491 -0.755 . . . . 0.0 112.79 169.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -94.0 -15.31 24.98 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.679 1.191 . . . . 0.0 113.081 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.23 -145.68 15.77 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 124.876 1.226 . . . . 0.0 112.773 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -93.17 134.87 34.9 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.285 1.034 . . . . 0.0 112.558 -169.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -111.25 128.95 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.179 1.392 . . . . 0.0 110.243 -175.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -71.75 -49.39 39.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.902 1.281 . . . . 0.0 111.041 169.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -165.59 147.59 7.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.71 2.004 . . . . 0.0 108.902 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.35 143.37 29.05 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.015 1.326 . . . . 0.0 110.659 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.9 m -150.85 159.68 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.244 1.418 . . . . 0.0 111.615 -171.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.7 t -125.35 131.06 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.952 1.701 . . . . 0.0 108.011 169.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.421 HG13 ' CE2' ' A' ' 78' ' ' TYR . 46.9 mm -76.73 116.92 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.954 0.902 . . . . 0.0 111.025 -169.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.469 0.48 0 C-N-CA 127.078 2.151 . . . . 0.0 109.008 175.29 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 121.51 0.671 . . . . 0.0 112.395 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -89.02 -2.75 58.73 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.416 1.486 . . . . 0.0 113.767 173.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.82 14.22 80.0 Favored Glycine 0 N--CA 1.474 1.169 0 C-N-CA 123.955 0.788 . . . . 0.0 114.045 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.421 ' CE2' HG13 ' A' ' 67' ' ' ILE . 14.2 p90 -150.45 163.16 39.09 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.109 1.364 . . . . 0.0 113.644 176.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.08 -175.34 14.69 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 126.661 2.077 . . . . 0.0 112.955 174.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -130.46 147.35 52.15 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 125.948 1.699 . . . . 0.0 110.623 174.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.8 t -137.44 130.23 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.659 1.584 . . . . 0.0 108.19 174.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -117.45 126.27 52.34 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.559 0.744 . . . . 0.0 109.048 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 76.8 mmm -94.16 145.45 24.69 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.467 1.107 . . . . 0.0 111.313 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -67.86 -21.02 65.19 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -150.07 151.09 32.67 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.367 1.467 . . . . 0.0 110.925 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -55.5 -32.14 62.61 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.56 1.144 . . . . 0.0 112.069 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.55 -22.67 66.15 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.0 m -85.48 -29.26 24.43 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.422 -0.798 . . . . 0.0 112.001 173.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.12 -37.94 57.44 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.109 -0.994 . . . . 0.0 112.488 173.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.33 -30.71 69.7 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.238 1.015 . . . . 0.0 112.172 171.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -75.07 -26.92 59.71 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 173.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.5 -25.35 45.63 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.5 p -77.31 -2.85 36.94 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -64.27 -24.93 67.83 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.165 1.386 . . . . 0.0 114.69 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -129.64 107.15 17.11 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.036 1.335 . . . . 0.0 110.156 171.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.84 -18.0 11.92 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.198 2.599 . . . . 0.0 112.971 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -134.57 68.34 72.22 Favored Pre-proline 0 CA--C 1.554 1.12 0 C-N-CA 125.388 1.475 . . . . 0.0 111.653 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.52 -8.98 16.14 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 124.474 3.449 . . . . 0.0 116.93 -169.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 63.79 56.92 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 125.625 1.57 . . . . 0.0 111.178 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.0 mt -72.74 123.53 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.022 -1.049 . . . . 0.0 109.359 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t0 65.38 12.89 8.45 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.96 1.704 . . . . 0.0 113.857 172.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.41 39.22 4.27 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.458 1.504 . . . . 0.0 114.918 175.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -155.09 141.53 18.71 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.024 1.329 . . . . 0.0 109.069 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -64.42 101.53 0.45 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.3 0.571 . . . . 0.0 111.662 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.35 175.2 10.47 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.45 1.1 . . . . 0.0 111.184 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -150.04 99.22 2.8 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.962 1.705 . . . . 0.0 108.468 -171.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.4 t -106.84 124.37 62.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.447 1.499 . . . . 0.0 110.007 -169.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -163.25 155.23 17.81 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.258 1.023 . . . . 0.0 113.334 175.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.4 mt -54.93 144.83 21.75 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.629 0.772 . . . . 0.0 109.678 169.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.342 0 N-CA-C 116.482 2.031 . . . . 0.0 116.482 -171.913 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 . . . . . 0 CA--C 1.543 0.698 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.0 p -135.64 -25.06 1.31 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.173 1.389 . . . . 0.0 113.81 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -89.46 130.6 35.78 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.864 1.666 . . . . 0.0 110.879 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.9 mt -128.49 118.75 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 126.461 1.904 . . . . 0.0 108.706 -170.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -84.03 134.4 34.63 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.711 1.204 . . . . 0.0 107.883 168.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.8 t -135.95 92.9 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.873 0.869 . . . . 0.0 109.685 -173.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.463 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -103.99 -175.02 25.57 Favored Glycine 0 N--CA 1.47 0.907 0 C-N-CA 123.393 0.52 . . . . 0.0 114.002 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.71 15.0 73.18 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 123.808 0.718 . . . . 0.0 113.908 -174.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 98.2 mt -70.92 145.86 92.29 Favored Pre-proline 0 C--O 1.241 0.619 0 C-N-CA 124.923 1.289 . . . . 0.0 110.149 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.07 143.24 35.73 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.233 1.956 . . . . 0.0 108.991 169.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -60.3 -17.12 40.39 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -82.58 -3.01 55.39 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.8 m -67.66 126.52 29.64 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.921 1.288 . . . . 0.0 109.575 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.6 p -94.64 166.64 11.92 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.999 0.904 . . . . 0.0 112.571 173.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -53.87 -36.73 62.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.002 1.321 . . . . 0.0 111.937 173.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -82.29 -29.79 30.95 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.241 1.016 . . . . 0.0 112.809 177.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -62.36 -43.24 99.28 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.869 0.868 . . . . 0.0 110.139 173.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.49 -39.94 81.12 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.137 0.575 . . . . 0.0 112.28 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -58.76 -38.83 79.32 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.716 -0.615 . . . . 0.0 111.711 173.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -75.75 -10.66 59.62 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.747 1.219 . . . . 0.0 113.519 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -92.14 -41.13 10.64 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.224 0.92 . . . . 0.0 111.93 168.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -78.86 -14.11 59.42 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -174.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -8.65 49.33 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -73.99 -18.26 60.88 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.858 0.863 . . . . 0.0 112.938 170.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -94.64 -10.75 30.89 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.698 1.199 . . . . 0.0 113.16 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.66 -160.54 23.82 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.631 1.586 . . . . 0.0 112.73 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -72.28 125.01 26.27 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.593 1.157 . . . . 0.0 112.757 -172.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.8 mt -92.61 127.07 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.54 1.136 . . . . 0.0 109.858 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -85.07 -34.87 22.15 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.232 1.813 . . . . 0.0 111.663 176.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -164.81 147.7 8.54 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.864 2.066 . . . . 0.0 108.903 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.81 133.82 15.98 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.213 1.005 . . . . 0.0 110.536 172.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.2 m -151.11 158.92 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.272 1.429 . . . . 0.0 111.633 -172.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.0 t -121.95 133.46 68.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.093 1.757 . . . . 0.0 108.219 170.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.454 HG13 ' CE2' ' A' ' 78' ' ' TYR . 36.9 mm -75.75 127.92 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.634 0.774 . . . . 0.0 110.479 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.469 0.499 0 C-N-CA 126.635 1.974 . . . . 0.0 109.816 -177.197 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.47 0.57 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -90.96 -2.9 57.66 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.16 3.5 87.35 Favored Glycine 0 N--CA 1.475 1.268 0 C-N-CA 124.739 1.161 . . . . 0.0 114.331 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.463 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 15.2 p90 -149.4 163.46 37.7 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.257 1.423 . . . . 0.0 113.897 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.53 -173.79 13.6 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 126.649 2.071 . . . . 0.0 112.873 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -130.11 145.61 51.71 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 125.983 1.713 . . . . 0.0 110.624 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -135.89 136.62 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.432 1.493 . . . . 0.0 108.306 173.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -124.62 134.9 52.77 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.805 1.242 . . . . 0.0 108.291 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 87.4 mmm -106.88 139.82 40.68 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.452 1.101 . . . . 0.0 110.952 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -66.26 -19.3 65.78 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -175.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -137.41 149.37 46.87 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.33 1.452 . . . . 0.0 111.349 172.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.07 -39.77 69.64 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.369 1.068 . . . . 0.0 112.246 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.4 -25.4 65.03 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.565 -0.709 . . . . 0.0 112.573 -176.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.1 m -75.4 -29.57 59.83 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.151 -0.968 . . . . 0.0 112.254 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.46 -35.4 60.89 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.316 -0.865 . . . . 0.0 111.893 169.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.33 -42.91 96.63 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.224 0.609 . . . . 0.0 111.336 169.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -63.68 -34.37 77.7 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.748 0.819 . . . . 0.0 112.736 172.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.7 -35.1 67.56 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.6 p -77.13 -4.84 46.55 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -62.31 -26.15 68.26 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -124.98 107.22 28.42 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 125.337 1.455 . . . . 0.0 109.839 173.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.44 -15.54 13.97 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 123.056 2.504 . . . . 0.0 113.188 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -135.54 72.5 64.0 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.912 1.285 . . . . 0.0 112.111 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.43 -11.83 14.25 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 124.33 3.354 . . . . 0.0 116.491 -171.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.9 mm 63.96 56.54 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 125.678 1.591 . . . . 0.0 111.297 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.3 mt -69.23 118.15 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 121.035 -1.041 . . . . 0.0 110.062 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.48 21.75 8.85 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.543 1.937 . . . . 0.0 114.641 175.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.84 32.72 5.53 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.749 1.166 . . . . 0.0 115.787 171.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -152.42 141.98 21.76 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 118.738 1.269 . . . . 0.0 109.936 171.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.32 101.62 0.45 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.595 0.712 . . . . 0.0 111.971 -177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.69 166.97 22.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.491 1.116 . . . . 0.0 111.012 175.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -135.99 102.56 5.08 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.189 1.796 . . . . 0.0 108.223 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.6 t -107.62 125.86 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.378 1.471 . . . . 0.0 110.039 -170.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -163.89 155.7 16.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.328 1.051 . . . . 0.0 113.162 174.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -54.27 141.24 30.43 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.438 0.695 . . . . 0.0 109.4 168.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.363 0 N-CA-C 116.305 1.965 . . . . 0.0 116.305 -174.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 CA--C 1.544 0.737 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.9 p -134.51 -27.31 1.35 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.444 1.498 . . . . 0.0 113.59 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HE2' ' CE1' ' A' ' 80' ' ' PHE . 88.4 tttt -88.51 130.11 35.3 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.982 1.713 . . . . 0.0 110.704 176.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 mt -127.19 119.79 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 126.25 1.82 . . . . 0.0 108.797 -170.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -83.87 137.32 33.74 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.88 1.272 . . . . 0.0 108.189 168.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.7 t -136.71 92.88 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.971 0.909 . . . . 0.0 109.609 -176.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.1 -174.72 26.47 Favored Glycine 0 N--CA 1.469 0.877 0 C-N-CA 123.136 0.398 . . . . 0.0 113.604 176.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.17 16.44 75.14 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 123.767 0.699 . . . . 0.0 114.182 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -74.33 150.42 87.29 Favored Pre-proline 0 C--O 1.241 0.623 0 C-N-CA 125.44 1.496 . . . . 0.0 110.44 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.21 152.22 44.7 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.302 2.001 . . . . 0.0 109.494 169.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -66.87 -9.01 33.21 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 -171.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -93.33 -4.14 52.18 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m -67.81 140.22 56.62 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.006 1.322 . . . . 0.0 110.265 175.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.1 m -115.8 168.91 9.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.42 1.088 . . . . 0.0 112.187 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -57.15 -36.18 70.42 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.402 1.081 . . . . 0.0 113.149 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -70.37 -39.91 74.33 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.285 0.634 . . . . 0.0 111.83 173.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -59.08 -43.36 91.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.2 1.4 . . . . 0.0 110.692 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.5 tp -74.45 -37.35 63.29 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -59.07 -41.16 87.29 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.592 0.633 . . . . 0.0 111.413 173.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -66.4 -34.03 77.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.003 0.921 . . . . 0.0 112.74 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -72.26 -30.33 64.74 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.367 -0.833 . . . . 0.0 113.126 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -86.43 -7.21 58.62 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -173.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -65.92 -18.99 65.71 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.373 0.988 . . . . 0.0 113.035 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -72.41 -15.68 61.84 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.359 1.063 . . . . 0.0 113.55 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -98.61 -12.82 20.75 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.466 1.106 . . . . 0.0 113.17 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.7 -156.96 22.36 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.509 1.528 . . . . 0.0 113.06 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -75.31 126.98 32.12 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.059 1.344 . . . . 0.0 112.687 -172.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.5 mt -99.9 126.94 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.933 1.293 . . . . 0.0 109.592 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -81.62 -44.37 17.31 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.933 1.693 . . . . 0.0 110.597 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -164.94 151.97 10.9 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.538 1.935 . . . . 0.0 109.318 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.7 143.88 26.74 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.769 1.228 . . . . 0.0 110.884 175.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 m -151.63 157.48 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.784 1.633 . . . . 0.0 111.317 -173.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.2 t -126.51 132.86 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.219 1.407 . . . . 0.0 107.519 169.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.9 mm -80.19 109.83 15.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 123.782 0.833 . . . . 0.0 111.026 -169.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.0 p . . . . . 0 N--CA 1.469 0.478 0 C-N-CA 126.999 2.12 . . . . 0.0 109.451 177.372 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 120.82 0.343 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -90.5 3.62 53.43 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 170.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.0 14.91 68.42 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 124.257 0.932 . . . . 0.0 114.321 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -149.94 163.09 39.0 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.099 1.36 . . . . 0.0 114.094 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.58 -172.15 14.95 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 127.053 2.263 . . . . 0.0 112.794 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CE1' ' HE2' ' A' ' 36' ' ' LYS . 25.1 m-85 -133.97 149.73 51.24 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.817 1.647 . . . . 0.0 111.023 175.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.4 t -136.77 136.27 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.814 1.645 . . . . 0.0 108.178 172.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.8 m -121.71 135.47 54.95 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.168 0.987 . . . . 0.0 108.57 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 87.8 mmm -106.3 146.2 30.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.498 1.119 . . . . 0.0 111.257 -174.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -71.61 -14.52 62.09 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -140.96 151.21 44.0 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.306 1.443 . . . . 0.0 110.904 170.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -49.27 -47.32 46.8 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.052 0.941 . . . . 0.0 112.457 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.37 -24.41 65.69 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.723 -0.61 . . . . 0.0 112.352 -171.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.6 m -75.44 -29.63 59.74 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.143 -0.973 . . . . 0.0 112.77 174.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.17 -34.7 49.53 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.153 -0.967 . . . . 0.0 111.879 169.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -63.59 -37.34 86.97 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.214 1.006 . . . . 0.0 111.413 172.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -66.43 -33.25 75.3 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.338 1.055 . . . . 0.0 112.936 170.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.63 64.26 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.6 p -74.91 -6.05 47.07 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.69 -27.34 69.15 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -120.76 104.49 42.02 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 125.163 1.385 . . . . 0.0 109.477 170.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.34 -18.59 12.36 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.927 2.418 . . . . 0.0 113.035 -178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -131.15 69.71 82.31 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 124.605 1.162 . . . . 0.0 112.245 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -80.2 -9.72 13.89 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 124.479 3.452 . . . . 0.0 116.596 -171.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.7 mm 64.11 55.94 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.696 1.598 . . . . 0.0 111.138 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.1 mt -71.59 124.71 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.049 -1.032 . . . . 0.0 109.456 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.6 t0 64.85 13.72 8.72 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.872 1.669 . . . . 0.0 113.728 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.91 36.85 5.39 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.371 1.463 . . . . 0.0 115.061 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.2 ttt85 -153.05 143.69 22.72 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.461 1.131 . . . . 0.0 109.534 170.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -62.86 101.5 0.27 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.544 0.688 . . . . 0.0 111.739 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.42 174.48 11.52 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.587 1.155 . . . . 0.0 111.24 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -145.8 94.32 2.47 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.013 1.725 . . . . 0.0 108.622 -173.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 99.3 t -102.7 125.05 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.954 1.702 . . . . 0.0 109.626 -171.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -163.25 155.06 17.62 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.182 0.993 . . . . 0.0 113.095 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -54.2 141.16 30.27 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.383 0.673 . . . . 0.0 109.487 168.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.334 0 N-CA-C 116.557 2.058 . . . . 0.0 116.557 -171.188 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.1 p -135.18 -23.09 1.52 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.921 1.288 . . . . 0.0 113.974 -176.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -89.2 128.29 35.8 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.273 1.429 . . . . 0.0 110.765 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.0 mt -126.4 118.75 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.993 1.717 . . . . 0.0 108.825 -169.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -79.62 138.55 37.46 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.705 1.202 . . . . 0.0 108.785 169.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.2 t -137.68 94.5 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.781 0.832 . . . . 0.0 109.186 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.413 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -101.61 -176.08 28.42 Favored Glycine 0 N--CA 1.468 0.779 0 C-N-CA 122.966 0.317 . . . . 0.0 112.87 174.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.01 17.87 72.18 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 123.354 0.502 . . . . 0.0 113.521 -173.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.3 mt -74.59 141.52 76.34 Favored Pre-proline 0 C--O 1.239 0.552 0 C-N-CA 124.265 1.026 . . . . 0.0 109.205 173.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.7 146.53 67.06 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 121.968 1.779 . . . . 0.0 109.187 170.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -61.63 -13.79 25.27 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 -171.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -90.76 -5.55 55.54 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 115.105 1.521 . . . . 0.0 115.105 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.2 m -67.21 130.92 44.64 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.613 1.165 . . . . 0.0 109.323 169.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.2 m -105.51 171.01 7.56 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.31 1.044 . . . . 0.0 111.796 175.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -58.1 -34.95 70.74 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.104 -0.997 . . . . 0.0 112.882 176.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -72.35 -36.85 68.9 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 173.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.6 m -60.43 -42.76 96.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.21 1.404 . . . . 0.0 110.278 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.4 tp -73.2 -39.54 65.48 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.676 0.791 . . . . 0.0 112.59 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -59.42 -40.59 87.19 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.536 0.607 . . . . 0.0 111.451 173.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -67.0 -31.38 71.9 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.178 0.991 . . . . 0.0 112.567 -175.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -74.36 -32.13 62.66 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.27 -0.894 . . . . 0.0 113.112 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -84.43 -6.94 59.43 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -173.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -66.4 -17.11 64.59 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.496 1.044 . . . . 0.0 113.234 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -74.32 -15.47 60.95 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.565 1.146 . . . . 0.0 113.341 177.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -97.94 -13.23 21.28 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.419 1.088 . . . . 0.0 113.36 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.41 -145.32 17.41 Favored Glycine 0 C--N 1.339 0.726 0 C-N-CA 124.251 0.929 . . . . 0.0 113.346 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -88.24 119.81 29.01 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.174 0.99 . . . . 0.0 111.844 -170.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 52.1 mt -91.75 130.4 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.378 1.071 . . . . 0.0 109.273 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -89.93 -37.87 14.07 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.609 1.564 . . . . 0.0 111.648 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -166.42 152.91 8.98 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.314 1.846 . . . . 0.0 109.378 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.45 143.27 24.66 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.583 1.153 . . . . 0.0 110.77 174.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.7 m -151.45 158.9 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.627 1.571 . . . . 0.0 111.454 -173.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.45 133.55 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.796 1.638 . . . . 0.0 107.433 169.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.6 mm -81.7 124.82 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.628 0.771 . . . . 0.0 112.17 -168.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.47 0.537 0 C-N-CA 127.119 2.168 . . . . 0.0 110.432 -175.169 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -82.03 0.65 39.38 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.62 8.53 80.13 Favored Glycine 0 N--CA 1.475 1.239 0 C-N-CA 124.543 1.068 . . . . 0.0 114.194 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.413 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 13.4 p90 -148.02 164.32 34.16 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.822 1.249 . . . . 0.0 113.868 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.19 -169.93 15.05 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 127.081 2.277 . . . . 0.0 112.637 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -134.17 150.65 51.1 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.753 1.621 . . . . 0.0 110.873 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.2 t -134.25 132.88 55.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.715 1.606 . . . . 0.0 108.085 170.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.6 m -114.95 132.51 56.54 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.8 mmm -101.44 144.53 30.12 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.347 1.059 . . . . 0.0 110.407 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -64.45 -17.55 63.92 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -153.16 150.32 28.94 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.037 1.335 . . . . 0.0 111.946 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -57.48 -31.97 66.52 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.211 1.004 . . . . 0.0 112.669 177.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.39 -23.49 65.58 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.9 m -86.48 -35.01 19.88 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.467 -0.77 . . . . 0.0 111.686 174.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.74 -37.43 76.47 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.141 -0.974 . . . . 0.0 112.722 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -55.39 -44.18 75.86 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 124.11 0.964 . . . . 0.0 111.827 169.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -66.57 -36.35 82.44 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.65 0.659 . . . . 0.0 112.411 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.51 -35.49 73.23 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.2 p -76.74 -10.09 59.13 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -70.55 -25.73 63.23 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -176.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -110.69 103.31 54.22 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 124.838 1.255 . . . . 0.0 109.827 170.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.0 -15.82 12.87 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.028 2.485 . . . . 0.0 113.076 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -137.67 75.66 43.27 Favored Pre-proline 0 CA--C 1.551 1.006 0 C-N-CA 124.525 1.13 . . . . 0.0 112.438 -173.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -80.13 -13.38 12.65 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.128 3.219 . . . . 0.0 116.154 -173.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.1 mm 63.5 57.37 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 125.652 1.581 . . . . 0.0 111.269 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.3 mt -71.69 119.83 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.21 1.004 . . . . 0.0 110.019 -174.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.1 24.43 12.75 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.507 1.923 . . . . 0.0 113.997 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.53 30.69 7.93 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.55 1.071 . . . . 0.0 115.697 170.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -153.13 140.11 19.21 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.107 1.363 . . . . 0.0 109.013 174.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -64.45 103.36 0.65 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.321 0.581 . . . . 0.0 112.271 -176.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.67 162.17 28.47 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.94 0.896 . . . . 0.0 110.266 169.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -134.79 99.45 4.32 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.847 1.659 . . . . 0.0 107.482 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.9 t -103.88 128.59 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.939 1.696 . . . . 0.0 110.337 -169.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -166.27 160.28 15.79 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.844 1.258 . . . . 0.0 112.641 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.4 mt -53.21 149.09 7.48 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.541 0.737 . . . . 0.0 110.37 169.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.272 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -175.79 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.5 p -135.31 -24.49 1.4 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.687 1.195 . . . . 0.0 114.128 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -88.51 132.02 34.67 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.648 1.179 . . . . 0.0 110.995 175.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.9 mt -129.21 122.03 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.56 1.944 . . . . 0.0 109.15 -169.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -81.29 135.62 35.72 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.338 1.455 . . . . 0.0 108.14 168.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.8 t -137.12 94.48 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.948 0.899 . . . . 0.0 109.463 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.26 -175.74 26.36 Favored Glycine 0 N--CA 1.47 0.947 0 C-N-CA 123.185 0.422 . . . . 0.0 113.467 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.76 13.61 75.16 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.087 0.851 . . . . 0.0 114.024 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.22 147.78 85.8 Favored Pre-proline 0 C--O 1.24 0.58 0 C-N-CA 125.306 1.442 . . . . 0.0 110.67 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -59.13 148.53 85.23 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.677 2.251 . . . . 0.0 111.384 167.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -64.32 -11.42 32.03 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -97.61 -7.44 31.12 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 115.165 1.542 . . . . 0.0 115.165 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.3 m -64.03 136.31 57.19 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.389 1.076 . . . . 0.0 109.438 169.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.3 m -113.44 168.13 10.0 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.022 0.929 . . . . 0.0 112.016 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -59.01 -34.94 72.44 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.333 1.053 . . . . 0.0 112.905 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -65.51 -43.74 89.16 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.413 1.085 . . . . 0.0 111.722 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -62.35 -45.04 94.97 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.179 1.392 . . . . 0.0 110.74 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.29 -35.84 66.19 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.592 0.757 . . . . 0.0 112.696 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -59.03 -44.14 91.7 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.769 0.713 . . . . 0.0 110.804 170.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -70.01 -37.65 75.73 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.782 0.833 . . . . 0.0 112.093 -174.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -64.06 -33.37 75.6 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -83.53 -6.42 59.44 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -67.11 -16.89 64.61 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.758 1.163 . . . . 0.0 113.115 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -69.2 -15.93 63.5 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.045 0.938 . . . . 0.0 113.38 173.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -99.31 -13.84 19.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.675 1.19 . . . . 0.0 113.272 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.85 -162.44 24.96 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.17 1.367 . . . . 0.0 112.864 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -71.57 149.08 46.03 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.099 1.36 . . . . 0.0 112.211 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.9 mt -129.4 137.0 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.276 1.43 . . . . 0.0 109.935 -170.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.69 -50.74 10.16 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.175 0.99 . . . . 0.0 111.463 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -168.61 153.39 6.12 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.874 1.67 . . . . 0.0 109.458 -171.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.0 155.62 45.44 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.838 1.255 . . . . 0.0 110.527 169.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.7 m -149.06 157.74 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.84 1.656 . . . . 0.0 110.8 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.3 t -125.68 132.44 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 168.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.6 mm -80.42 104.66 9.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.841 0.829 . . . . 0.0 110.809 -169.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p . . . . . 0 N--CA 1.464 0.225 0 C-N-CA 126.687 1.995 . . . . 0.0 108.3 169.426 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -88.92 -4.39 58.47 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.46 11.99 76.56 Favored Glycine 0 N--CA 1.475 1.271 0 C-N-CA 124.016 0.817 . . . . 0.0 114.578 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -144.63 165.07 29.07 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.974 1.31 . . . . 0.0 113.813 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -149.41 -171.97 18.54 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 127.119 2.295 . . . . 0.0 112.514 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -134.69 150.98 50.68 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.745 1.618 . . . . 0.0 110.876 175.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.4 t -136.43 137.31 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.867 1.667 . . . . 0.0 108.427 174.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.8 m -121.59 125.32 46.45 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.619 0.767 . . . . 0.0 109.206 175.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 81.5 mmm -90.45 144.99 25.27 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.299 1.04 . . . . 0.0 111.443 -174.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -71.72 -16.93 62.24 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -144.82 149.87 36.17 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.861 1.264 . . . . 0.0 111.019 172.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -56.49 -36.67 69.39 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.253 1.021 . . . . 0.0 112.077 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.92 -17.79 62.07 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 m -80.16 -33.01 38.79 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.288 -0.882 . . . . 0.0 111.208 170.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.22 -36.53 74.61 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.003 -1.06 . . . . 0.0 111.922 170.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -62.76 -21.62 65.97 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -85.58 -39.96 16.78 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.177 0.991 . . . . 0.0 111.796 171.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.48 84.45 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 16.1 p -74.44 -9.67 58.82 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -68.94 -22.42 64.14 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -179.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -120.26 101.24 47.06 Favored Pre-proline 0 CA--C 1.544 0.75 0 C-N-CA 124.701 1.201 . . . . 0.0 109.829 172.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.43 -15.4 15.76 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.294 2.662 . . . . 0.0 112.783 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -137.48 71.76 51.85 Favored Pre-proline 0 CA--C 1.554 1.12 0 C-N-CA 125.165 1.386 . . . . 0.0 111.75 -176.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.36 -11.13 16.04 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 124.287 3.324 . . . . 0.0 116.253 -171.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.9 mm 64.46 54.54 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 125.738 1.615 . . . . 0.0 111.424 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.7 mt -70.54 127.02 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.46 1.104 . . . . 0.0 109.819 -177.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 59.09 20.46 8.37 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.813 1.645 . . . . 0.0 114.085 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.19 30.69 10.6 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.497 1.046 . . . . 0.0 114.605 174.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -149.52 140.94 23.29 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.603 1.161 . . . . 0.0 109.902 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.12 102.66 0.31 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.622 0.725 . . . . 0.0 112.227 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.81 168.06 20.27 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.733 1.213 . . . . 0.0 110.723 172.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -136.7 103.69 5.29 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.824 1.65 . . . . 0.0 108.475 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 90.2 t -108.09 128.2 63.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.511 1.524 . . . . 0.0 110.369 -169.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -163.88 156.72 17.92 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.809 1.244 . . . . 0.0 112.613 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.7 mt -53.83 138.98 34.7 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.573 0.749 . . . . 0.0 110.137 169.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.337 0 N-CA-C 116.267 1.951 . . . . 0.0 116.267 -176.206 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.7 p -143.34 -19.21 0.62 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -174.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -93.32 128.87 39.52 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.809 1.244 . . . . 0.0 110.423 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.1 mt -126.83 119.12 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.44 1.496 . . . . 0.0 109.587 -168.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -79.43 138.63 37.68 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.521 1.128 . . . . 0.0 108.21 168.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.5 t -137.01 89.62 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.117 0.967 . . . . 0.0 109.502 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.404 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -92.74 -179.05 40.65 Favored Glycine 0 N--CA 1.467 0.735 0 C-N-CA 123.122 0.391 . . . . 0.0 113.09 172.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.04 24.03 75.94 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 123.969 0.795 . . . . 0.0 113.711 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.94 143.19 73.88 Favored Pre-proline 0 C--O 1.241 0.63 0 C-N-CA 124.381 1.072 . . . . 0.0 109.402 171.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.78 142.11 62.09 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.595 1.53 . . . . 0.0 108.624 169.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -60.29 -12.76 9.86 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 -168.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -91.53 0.06 57.55 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.663 1.585 . . . . 0.0 114.896 175.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.3 m -66.57 135.05 53.58 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.084 1.354 . . . . 0.0 109.566 173.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.5 m -110.12 168.94 9.06 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.18 0.992 . . . . 0.0 111.847 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -58.58 -33.61 70.16 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.099 -1.001 . . . . 0.0 112.967 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -70.21 -41.51 73.55 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.307 0.643 . . . . 0.0 111.787 172.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 m -57.95 -44.19 86.83 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.236 1.415 . . . . 0.0 110.666 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.62 -37.03 65.53 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -60.09 -41.89 93.45 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.688 -0.632 . . . . 0.0 111.169 172.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -66.33 -38.78 88.45 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.922 0.889 . . . . 0.0 112.122 -176.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -67.02 -31.25 71.67 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -86.63 -6.21 58.92 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -67.15 -17.86 65.03 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.646 1.112 . . . . 0.0 113.284 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -72.01 -19.12 61.91 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.281 1.032 . . . . 0.0 113.004 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -93.56 -16.49 24.36 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.612 1.165 . . . . 0.0 113.46 -175.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.21 -146.34 18.31 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 124.586 1.089 . . . . 0.0 113.262 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -86.57 125.92 34.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.26 1.024 . . . . 0.0 112.061 -171.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.9 mt -100.16 130.93 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.793 1.237 . . . . 0.0 109.472 -177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -87.01 -44.09 11.85 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.692 1.597 . . . . 0.0 110.494 177.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -164.41 153.22 13.09 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.451 1.901 . . . . 0.0 109.622 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.73 144.73 28.49 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.861 1.264 . . . . 0.0 110.687 174.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 m -151.29 156.67 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 125.511 1.524 . . . . 0.0 111.487 -173.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.7 t -124.88 136.59 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.392 1.477 . . . . 0.0 107.525 169.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.6 mm -82.99 98.7 5.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-O 121.845 0.831 . . . . 0.0 111.335 -168.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.475 0.806 0 C-N-CA 127.276 2.23 . . . . 0.0 110.286 179.575 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -77.18 -9.74 58.96 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.25 3.26 79.08 Favored Glycine 0 N--CA 1.474 1.188 0 C-N-CA 124.81 1.195 . . . . 0.0 114.175 -174.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.404 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 33.0 p90 -138.82 162.67 34.19 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.41 -171.89 14.66 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 127.812 2.625 . . . . 0.0 112.054 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -136.49 151.61 49.63 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.694 1.598 . . . . 0.0 110.999 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -136.7 134.96 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.617 1.567 . . . . 0.0 108.318 172.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 83.5 m -116.69 131.28 56.99 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 173.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 89.4 mmm -99.9 146.26 26.86 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.564 1.146 . . . . 0.0 110.274 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -68.21 -17.52 64.34 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -152.65 150.79 29.85 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.614 1.166 . . . . 0.0 112.601 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -58.47 -30.53 67.04 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.996 1.319 . . . . 0.0 112.933 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.96 -25.65 61.09 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 176.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.7 m -81.32 -35.85 30.47 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.439 -0.788 . . . . 0.0 110.967 169.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.85 -37.94 85.42 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.74 -42.29 99.6 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.005 0.82 . . . . 0.0 111.483 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -64.86 -33.95 77.23 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.932 0.893 . . . . 0.0 112.004 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.42 -37.27 68.67 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.712 0.805 . . . . 0.0 113.046 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.32 -6.35 59.38 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -63.83 -17.09 62.78 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.489 1.516 . . . . 0.0 114.684 -174.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -131.22 113.9 15.97 Favored Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 126.259 1.823 . . . . 0.0 109.099 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.92 -16.52 12.63 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.95 2.434 . . . . 0.0 113.447 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -132.59 70.1 79.48 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 124.923 1.289 . . . . 0.0 112.154 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.83 -11.71 16.63 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.973 3.115 . . . . 0.0 116.546 -173.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mm 65.43 60.74 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 125.97 1.708 . . . . 0.0 111.281 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.4 mt -72.75 118.32 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.122 -0.986 . . . . 0.0 110.021 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 t70 60.45 18.37 8.13 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.867 2.067 . . . . 0.0 114.67 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.11 32.47 4.96 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.745 1.164 . . . . 0.0 115.833 172.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.25 141.32 21.27 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.67 1.235 . . . . 0.0 109.513 172.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -62.56 110.89 1.84 Allowed 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.602 -0.686 . . . . 0.0 111.116 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -84.55 173.21 10.99 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.661 1.584 . . . . 0.0 111.301 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -143.81 97.73 3.11 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.887 1.675 . . . . 0.0 108.95 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 87.7 t -108.75 129.33 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.141 1.376 . . . . 0.0 110.269 -169.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -159.12 160.53 35.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.091 0.957 . . . . 0.0 113.453 170.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.7 mt -65.23 115.51 5.62 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 169.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.157 0 C-N-CA 127.734 2.414 . . . . 0.0 117.158 -169.364 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 . . . . . 0 CA--C 1.541 0.634 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.4 p -130.58 -22.12 2.74 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.748 1.219 . . . . 0.0 113.633 -174.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -86.43 126.05 34.12 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.361 1.064 . . . . 0.0 109.982 169.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.6 mt -125.73 119.64 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 126.01 1.724 . . . . 0.0 108.801 -169.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -80.64 139.57 36.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.491 1.516 . . . . 0.0 108.949 169.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.92 97.8 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.992 0.917 . . . . 0.0 109.375 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -107.71 -176.98 22.41 Favored Glycine 0 N--CA 1.471 0.975 0 C-N-CA 123.152 0.406 . . . . 0.0 113.26 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.94 16.4 74.69 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.168 0.89 . . . . 0.0 113.799 -174.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.6 mt -71.16 145.64 91.41 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 125.133 1.373 . . . . 0.0 109.744 174.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -71.28 149.42 57.25 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.001 1.8 . . . . 0.0 109.412 169.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -64.18 -9.41 16.72 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -170.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -92.68 -5.73 50.76 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -65.12 139.22 58.67 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.827 1.251 . . . . 0.0 109.957 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -113.58 168.79 9.47 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.63 1.172 . . . . 0.0 112.23 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -58.32 -32.68 68.7 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.966 0.906 . . . . 0.0 112.157 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -72.0 -45.07 62.28 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.462 1.105 . . . . 0.0 111.279 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.5 m -54.58 -45.3 73.54 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.856 1.262 . . . . 0.0 110.888 176.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 tp -74.92 -38.24 61.85 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -59.77 -43.02 94.53 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.773 0.715 . . . . 0.0 111.084 172.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -69.19 -37.23 78.02 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.252 1.021 . . . . 0.0 111.663 -174.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -66.59 -31.53 72.29 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.415 -0.803 . . . . 0.0 113.022 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -84.23 -8.43 59.05 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.21 -16.41 64.28 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.673 1.124 . . . . 0.0 113.193 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -72.95 -15.56 61.56 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.243 1.017 . . . . 0.0 113.229 175.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -98.34 -16.18 19.44 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.509 1.124 . . . . 0.0 113.28 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.33 -145.04 16.39 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 124.416 1.008 . . . . 0.0 113.493 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -92.52 132.47 36.8 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.469 1.107 . . . . 0.0 112.271 -169.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.9 mt -111.47 126.56 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.831 1.253 . . . . 0.0 109.893 -172.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -82.88 -44.76 15.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.028 1.731 . . . . 0.0 110.612 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -166.1 152.07 8.98 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.635 1.974 . . . . 0.0 109.211 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.16 147.3 29.3 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.79 1.236 . . . . 0.0 110.983 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.1 m -150.82 157.85 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.664 1.586 . . . . 0.0 111.422 -174.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.0 t -127.61 137.45 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.399 1.479 . . . . 0.0 107.299 168.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.0 mm -83.89 95.34 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 C-N-CA 124.268 1.027 . . . . 0.0 108.983 -169.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.476 0.85 0 C-N-CA 129.367 3.067 . . . . 0.0 108.53 -179.807 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -88.83 -0.14 57.08 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.232 1.413 . . . . 0.0 113.157 169.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.39 8.19 68.58 Favored Glycine 0 N--CA 1.475 1.242 0 C-N-CA 124.998 1.285 . . . . 0.0 114.911 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -147.98 168.96 20.94 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.943 1.297 . . . . 0.0 114.122 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.27 -173.02 22.09 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 127.888 2.661 . . . . 0.0 112.326 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -138.26 150.58 46.81 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.741 1.616 . . . . 0.0 111.236 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.1 t -136.6 133.74 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.818 1.647 . . . . 0.0 108.3 172.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.5 m -114.91 128.64 56.41 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.046 0.938 . . . . 0.0 108.524 174.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 80.1 mmm -96.35 145.09 25.92 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.288 1.035 . . . . 0.0 110.74 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -69.81 -17.01 63.38 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -152.39 150.36 29.6 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.972 1.309 . . . . 0.0 111.068 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -58.91 -29.19 66.89 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.805 1.242 . . . . 0.0 112.768 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.1 -27.11 69.16 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.347 1.059 . . . . 0.0 113.578 173.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -85.66 -32.02 22.21 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.49 0.716 . . . . 0.0 111.754 175.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.91 -37.92 67.07 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 120.985 -1.072 . . . . 0.0 112.869 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -60.87 -33.97 73.9 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.967 0.907 . . . . 0.0 111.793 171.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -73.55 -33.12 64.54 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.719 0.808 . . . . 0.0 112.734 172.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.46 68.01 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.6 p -73.94 -7.0 50.73 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -65.92 -22.64 66.51 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -122.07 90.24 48.76 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 126.068 1.747 . . . . 0.0 110.15 175.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -66.26 -34.04 37.22 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.573 2.849 . . . . 0.0 112.748 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -122.11 79.0 43.03 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.506 1.123 . . . . 0.0 111.822 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -80.73 -15.54 10.76 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.997 3.131 . . . . 0.0 115.687 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mm 63.79 55.15 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.715 1.606 . . . . 0.0 111.024 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.8 mt -69.79 117.99 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 O-C-N 121.098 -1.002 . . . . 0.0 109.775 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.71 22.27 9.8 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.536 1.935 . . . . 0.0 114.47 176.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.28 35.43 5.0 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.627 1.108 . . . . 0.0 115.576 170.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.2 ttt85 -151.72 141.2 21.6 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.765 1.282 . . . . 0.0 110.394 169.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -64.64 102.79 0.6 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.727 0.775 . . . . 0.0 111.85 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.6 164.95 20.47 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.948 1.299 . . . . 0.0 111.54 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -130.11 103.88 7.0 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.662 1.985 . . . . 0.0 108.893 175.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.0 t -97.92 126.17 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.198 1.799 . . . . 0.0 109.06 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -163.25 159.67 23.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.186 0.994 . . . . 0.0 112.702 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.9 mt -53.8 148.53 9.98 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.604 0.762 . . . . 0.0 110.61 170.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.287 0 C-N-CA 125.79 1.636 . . . . 0.0 115.414 -178.275 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.5 p -124.9 -18.91 5.39 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -85.89 125.33 33.25 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.869 1.268 . . . . 0.0 110.562 170.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.6 mt -126.52 119.32 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 126.28 1.832 . . . . 0.0 108.867 -170.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -82.71 135.88 34.89 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.135 1.374 . . . . 0.0 108.324 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -136.11 90.54 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.722 0.809 . . . . 0.0 109.68 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.435 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -98.37 -171.02 32.01 Favored Glycine 0 N--CA 1.468 0.792 0 C-N-CA 123.122 0.391 . . . . 0.0 113.308 175.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.14 7.51 82.07 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 123.839 0.733 . . . . 0.0 114.872 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.41 149.64 97.19 Favored Pre-proline 0 C--O 1.242 0.677 0 C-N-CA 125.544 1.538 . . . . 0.0 111.328 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.51 143.23 34.17 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.383 2.055 . . . . 0.0 108.659 168.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.06 -9.63 11.14 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -171.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -90.77 1.23 57.07 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.33 1.452 . . . . 0.0 114.804 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.0 m -69.61 134.08 48.35 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.936 1.294 . . . . 0.0 109.651 173.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.7 m -110.76 170.09 8.33 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.272 1.029 . . . . 0.0 112.075 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -56.97 -41.26 78.03 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.327 1.051 . . . . 0.0 112.161 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -71.39 -34.72 70.64 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.706 0.803 . . . . 0.0 112.313 175.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -58.54 -41.22 85.06 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.753 1.221 . . . . 0.0 110.803 176.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.2 tp -72.97 -40.15 65.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.61 0.764 . . . . 0.0 112.305 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -59.69 -38.14 80.74 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.692 -0.63 . . . . 0.0 111.862 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.4 -15.21 61.84 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.953 1.301 . . . . 0.0 113.374 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -90.98 -41.24 11.22 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.237 0.926 . . . . 0.0 112.529 170.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -77.72 -14.68 59.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -174.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -7.83 46.8 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -76.92 -17.39 58.95 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.824 0.85 . . . . 0.0 113.037 171.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -95.61 -11.88 26.53 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.584 1.154 . . . . 0.0 113.386 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.84 -149.07 20.24 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 125.003 1.287 . . . . 0.0 112.755 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -87.3 120.75 28.91 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.907 0.883 . . . . 0.0 112.277 -170.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -89.44 131.17 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.534 1.134 . . . . 0.0 109.608 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -85.26 -43.59 13.62 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.685 1.594 . . . . 0.0 110.078 172.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -161.39 147.62 14.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.59 1.956 . . . . 0.0 109.315 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.13 132.79 19.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.559 1.144 . . . . 0.0 110.221 174.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.8 m -151.19 157.51 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.045 1.338 . . . . 0.0 111.936 -170.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.4 t -115.85 137.16 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.148 1.779 . . . . 0.0 108.229 172.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.4 mm -74.91 104.98 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.489 0.662 . . . . 0.0 109.855 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.5 p . . . . . 0 N--CA 1.466 0.325 0 C-N-CA 127.059 2.143 . . . . 0.0 108.941 177.525 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 N--CA 1.471 0.597 0 CA-C-O 120.929 0.395 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -90.64 2.23 56.08 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.68 9.39 66.47 Favored Glycine 0 N--CA 1.474 1.207 0 C-N-CA 124.567 1.08 . . . . 0.0 114.52 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.435 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 21.4 p90 -149.56 162.25 40.55 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.408 1.483 . . . . 0.0 113.982 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.05 -174.21 18.92 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 127.432 2.444 . . . . 0.0 112.521 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -133.92 146.98 51.02 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.909 1.684 . . . . 0.0 111.043 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.88 133.7 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 125.66 1.584 . . . . 0.0 108.182 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.8 m -118.59 130.51 55.93 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 172.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.5 mmm -99.92 148.15 24.79 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.279 1.032 . . . . 0.0 110.798 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -68.18 -18.34 64.57 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -154.06 150.17 27.93 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.933 1.293 . . . . 0.0 111.93 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -55.92 -32.42 63.76 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.471 1.509 . . . . 0.0 112.631 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.58 -21.93 63.57 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.8 m -86.58 -30.73 21.63 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.895 -1.128 . . . . 0.0 112.038 172.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.98 -35.77 56.95 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -64.61 -36.62 84.85 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.06 0.845 . . . . 0.0 111.691 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -67.36 -24.78 65.74 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.457 1.103 . . . . 0.0 113.142 172.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.74 -32.0 28.12 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.954 0.902 . . . . 0.0 113.33 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.1 p -78.79 -3.5 44.72 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -61.98 -26.89 68.48 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -177.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -129.56 111.28 17.68 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 125.628 1.571 . . . . 0.0 109.961 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.66 -15.92 15.09 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.918 2.412 . . . . 0.0 113.145 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -130.29 73.01 81.69 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.761 1.225 . . . . 0.0 112.415 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.59 -13.46 14.77 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.125 3.216 . . . . 0.0 116.094 -174.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 64.53 58.54 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 125.902 1.681 . . . . 0.0 111.268 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.2 mt -71.69 119.32 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 121.134 -0.979 . . . . 0.0 109.853 -175.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.4 t0 58.22 25.42 12.59 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.616 1.966 . . . . 0.0 114.047 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.14 32.97 7.14 Favored Glycine 0 CA--C 1.534 1.24 0 N-CA-C 115.583 0.993 . . . . 0.0 115.583 171.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -151.71 143.3 23.57 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 118.553 1.177 . . . . 0.0 109.597 170.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -61.79 103.46 0.35 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.45 0.643 . . . . 0.0 111.921 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.59 164.18 25.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.05 1.34 . . . . 0.0 110.778 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -132.06 98.59 4.47 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.364 1.866 . . . . 0.0 108.446 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.4 t -101.0 127.92 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.561 1.544 . . . . 0.0 109.824 -174.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -163.81 157.49 18.96 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.453 1.101 . . . . 0.0 112.585 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.06 147.44 29.57 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.6 -0.687 . . . . 0.0 109.781 169.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 1.421 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -179.616 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.3 p -139.78 -26.95 0.78 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -174.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -85.22 140.21 31.06 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.749 1.22 . . . . 0.0 110.782 170.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.6 mt -141.22 119.15 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.193 1.397 . . . . 0.0 110.035 -168.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.68 138.19 37.29 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.783 1.633 . . . . 0.0 107.967 167.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.6 t -138.11 92.89 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 123.933 0.893 . . . . 0.0 108.967 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.26 -176.8 27.63 Favored Glycine 0 N--CA 1.47 0.94 0 C-N-CA 123.201 0.429 . . . . 0.0 113.141 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.55 19.02 76.04 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 123.617 0.627 . . . . 0.0 113.284 -174.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.6 mt -73.06 144.52 85.08 Favored Pre-proline 0 C--O 1.241 0.635 0 C-N-CA 124.683 1.193 . . . . 0.0 109.447 173.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.94 145.5 56.27 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 121.794 1.663 . . . . 0.0 108.767 169.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -62.5 -11.58 17.1 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -170.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -93.76 -5.34 48.55 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.505 1.522 . . . . 0.0 115.049 176.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.4 m -67.61 131.89 46.49 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.403 1.081 . . . . 0.0 108.83 169.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.1 m -110.34 171.37 7.5 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.264 1.025 . . . . 0.0 112.361 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.29 -40.3 70.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.204 1.401 . . . . 0.0 112.033 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -69.76 -40.72 75.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.749 1.22 . . . . 0.0 112.493 174.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -57.64 -43.08 84.61 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.086 1.354 . . . . 0.0 110.632 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.5 tp -72.66 -38.28 67.68 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.734 0.814 . . . . 0.0 112.628 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -61.28 -38.64 87.48 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.559 -0.713 . . . . 0.0 111.627 172.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -76.26 -11.45 59.91 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.58 1.152 . . . . 0.0 113.109 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -89.97 -43.54 10.49 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.932 0.787 . . . . 0.0 112.171 169.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -77.83 -13.28 59.94 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -174.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -7.49 44.07 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -74.61 -18.84 60.5 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.676 0.79 . . . . 0.0 112.732 169.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -94.94 -13.11 25.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.815 1.246 . . . . 0.0 113.195 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 139.0 -145.54 16.86 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 124.854 1.216 . . . . 0.0 112.793 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -92.17 131.58 37.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.302 1.041 . . . . 0.0 112.436 -170.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.2 mt -106.05 132.86 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.273 1.429 . . . . 0.0 110.09 -176.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.45 -47.58 17.19 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.907 1.283 . . . . 0.0 110.793 169.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -165.31 149.27 8.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.663 1.985 . . . . 0.0 109.373 -175.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.27 141.37 28.54 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.017 1.327 . . . . 0.0 110.453 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.9 m -149.6 159.12 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.341 1.456 . . . . 0.0 111.764 -172.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.2 t -122.01 137.39 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.13 1.772 . . . . 0.0 108.54 169.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.8 mm -81.9 96.15 3.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 122.32 1.057 . . . . 0.0 110.75 -174.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.2 p . . . . . 0 CA--C 1.516 -0.328 0 C-N-CA 126.941 2.097 . . . . 0.0 107.28 168.393 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -90.26 -4.42 57.18 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 173.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.69 15.13 78.57 Favored Glycine 0 N--CA 1.475 1.28 0 CA-C-N 119.405 1.002 . . . . 0.0 114.418 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -143.65 163.25 33.76 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.16 1.384 . . . . 0.0 113.503 173.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.31 -172.56 16.75 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 126.713 2.102 . . . . 0.0 112.807 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -133.32 149.34 51.91 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 125.773 1.629 . . . . 0.0 111.126 175.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.3 t -136.88 136.8 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 126.028 1.731 . . . . 0.0 107.943 173.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -123.88 132.4 53.74 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.949 0.9 . . . . 0.0 108.584 175.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 78.9 mmm -101.19 149.66 23.76 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.661 1.184 . . . . 0.0 111.206 -173.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -67.21 -21.86 65.74 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -154.54 152.48 30.11 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.84 1.256 . . . . 0.0 111.952 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -56.78 -30.21 63.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.762 1.225 . . . . 0.0 112.782 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.8 -20.12 63.46 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.8 m -88.67 -35.16 16.94 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.909 -1.119 . . . . 0.0 111.465 169.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.5 -34.67 74.65 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -63.1 -40.47 97.74 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.039 0.836 . . . . 0.0 111.776 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -67.21 -31.49 71.91 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.524 1.129 . . . . 0.0 111.905 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.0 65.35 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.841 0.856 . . . . 0.0 112.897 174.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.6 p -85.36 -4.17 59.07 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -58.41 -26.17 62.96 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.113 1.765 . . . . 0.0 114.258 -172.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -137.27 129.65 16.89 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 126.109 1.764 . . . . 0.0 109.58 169.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.79 -14.47 13.93 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.993 2.462 . . . . 0.0 114.09 -173.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -128.52 78.03 76.41 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 124.692 1.197 . . . . 0.0 112.31 -173.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -78.94 -15.38 13.2 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.066 3.177 . . . . 0.0 115.648 -175.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.1 mm 67.25 60.44 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 126.042 1.737 . . . . 0.0 111.402 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.8 mt -72.95 119.59 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.282 1.033 . . . . 0.0 110.529 -174.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 t70 61.57 18.22 9.29 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.87 2.068 . . . . 0.0 114.301 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.78 30.88 6.25 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.873 1.225 . . . . 0.0 115.413 174.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -152.19 141.07 21.07 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.346 1.458 . . . . 0.0 109.914 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -62.79 104.14 0.51 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.228 0.611 . . . . 0.0 112.323 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.21 165.45 20.45 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.59 1.156 . . . . 0.0 110.804 171.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -137.17 100.27 4.22 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.495 1.518 . . . . 0.0 109.148 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.0 t -93.68 129.6 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.936 1.294 . . . . 0.0 110.287 -171.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -144.83 143.08 30.44 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.098 1.359 . . . . 0.0 110.958 -173.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.16 32.52 0.08 Allowed 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.297 1.839 . . . . 0.0 114.48 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.237 0 C-N-CA 127.323 2.249 . . . . 0.0 110.954 -170.851 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 . . . . . 0 CA--C 1.537 0.476 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.0 p -102.66 -11.95 18.05 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.557 1.543 . . . . 0.0 113.459 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -93.9 127.34 39.61 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.65 0.78 . . . . 0.0 112.089 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.7 mt -128.31 122.54 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.312 1.445 . . . . 0.0 110.033 -168.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -85.34 139.08 31.86 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.478 1.511 . . . . 0.0 108.747 169.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -136.48 87.27 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.306 1.042 . . . . 0.0 109.592 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -93.27 -176.88 40.49 Favored Glycine 0 N--CA 1.468 0.828 0 C-N-CA 123.665 0.65 . . . . 0.0 113.38 174.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.84 14.05 75.55 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.661 1.124 . . . . 0.0 114.443 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.43 148.09 93.11 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 125.16 1.384 . . . . 0.0 110.376 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -72.35 144.53 41.31 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 122.145 1.896 . . . . 0.0 108.859 168.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -61.55 -13.75 24.09 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -169.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -85.51 -4.88 59.29 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.1 m -66.75 135.43 53.97 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.899 1.28 . . . . 0.0 109.59 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.9 m -113.47 169.18 9.15 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.18 0.992 . . . . 0.0 112.187 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -55.6 -37.59 68.32 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.657 1.183 . . . . 0.0 112.736 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -65.98 -45.42 81.73 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.072 0.949 . . . . 0.0 111.748 172.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.9 m -57.42 -43.74 84.08 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.437 1.495 . . . . 0.0 111.068 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.6 tp -74.54 -38.13 62.83 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -59.67 -40.46 87.89 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.529 0.604 . . . . 0.0 111.267 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.85 -14.79 61.58 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.631 1.173 . . . . 0.0 113.318 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -88.98 -42.36 11.83 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.175 0.898 . . . . 0.0 112.063 169.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -79.72 -15.89 56.68 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -6.32 34.91 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -75.84 -17.11 59.94 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.427 -0.795 . . . . 0.0 112.331 169.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -104.96 -20.3 13.58 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.373 1.469 . . . . 0.0 113.127 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.65 -166.27 34.53 Favored Glycine 0 C--N 1.34 0.77 0 N-CA-C 117.732 1.853 . . . . 0.0 117.732 -169.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -96.11 -24.65 16.2 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 117.713 2.486 . . . . 0.0 117.713 -167.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.0 mt 58.37 117.23 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 C-N-CA 129.337 3.055 . . . . 0.0 115.883 175.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -72.25 -45.03 61.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.326 1.45 . . . . 0.0 111.437 168.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -163.1 144.56 9.78 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.841 2.056 . . . . 0.0 108.696 -175.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.24 140.35 32.24 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.008 1.323 . . . . 0.0 110.008 172.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.1 m -153.36 159.86 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.191 1.396 . . . . 0.0 112.015 -170.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.7 t -128.1 132.18 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.476 1.51 . . . . 0.0 107.425 168.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.5 mm -81.76 114.05 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 124.063 0.945 . . . . 0.0 111.859 -168.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.2 p . . . . . 0 N--CA 1.469 0.486 0 C-N-CA 126.659 1.984 . . . . 0.0 109.422 173.511 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -85.45 -2.2 57.86 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 172.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.16 11.72 83.23 Favored Glycine 0 N--CA 1.471 1.002 0 CA-C-N 119.031 0.832 . . . . 0.0 113.971 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -138.62 158.32 44.46 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.657 1.183 . . . . 0.0 114.06 174.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.4 -172.9 13.97 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 127.315 2.388 . . . . 0.0 112.207 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -135.8 151.93 50.57 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.446 1.498 . . . . 0.0 110.689 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.6 t -137.78 131.29 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 125.487 1.515 . . . . 0.0 107.983 169.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.6 m -115.12 129.42 56.67 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 78.2 mmm -96.3 149.63 21.46 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.508 1.123 . . . . 0.0 111.198 -175.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -70.67 -24.48 62.69 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.25 157.12 43.79 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.928 0.891 . . . . 0.0 113.247 174.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -60.15 -27.15 66.85 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.346 -0.846 . . . . 0.0 112.564 174.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.12 -19.92 64.04 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 174.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.41 -31.66 14.54 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.079 -1.013 . . . . 0.0 112.074 169.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.41 86.87 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.198 -0.938 . . . . 0.0 113.242 173.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.55 -37.62 88.19 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.51 0.595 . . . . 0.0 111.873 174.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -68.22 -34.01 75.46 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.69 1.196 . . . . 0.0 112.388 173.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.83 -29.85 61.19 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.8 p -83.13 -2.57 55.79 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -62.46 -25.5 68.02 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -175.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -126.92 110.64 22.03 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.307 1.443 . . . . 0.0 109.882 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -78.11 -15.79 14.39 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.01 2.473 . . . . 0.0 113.079 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -134.1 71.37 73.23 Favored Pre-proline 0 CA--C 1.554 1.127 0 C-N-CA 125.243 1.417 . . . . 0.0 111.911 -176.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -77.21 -12.47 17.35 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 124.276 3.317 . . . . 0.0 116.31 -172.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mm 64.24 56.33 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 125.907 1.683 . . . . 0.0 111.291 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.5 118.17 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 121.096 -1.003 . . . . 0.0 110.044 -174.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.01 20.87 9.97 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.611 1.964 . . . . 0.0 114.454 176.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.85 35.14 4.95 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.746 1.165 . . . . 0.0 115.415 171.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.2 ttt85 -152.82 142.88 22.3 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.522 1.161 . . . . 0.0 109.893 170.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.51 103.59 0.43 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.474 0.654 . . . . 0.0 111.607 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.69 166.45 22.97 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.196 0.999 . . . . 0.0 110.607 172.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -132.84 108.86 9.23 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.651 1.58 . . . . 0.0 108.535 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.3 t -109.94 122.4 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.906 1.282 . . . . 0.0 109.901 -173.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -163.03 168.27 21.24 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.52 1.528 . . . . 0.0 111.727 173.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.68 155.4 15.85 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.436 -0.79 . . . . 0.0 111.519 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.293 0 C-N-CA 125.613 1.565 . . . . 0.0 114.983 179.673 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.6 p -133.48 -28.18 1.48 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.08 1.352 . . . . 0.0 113.331 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -82.73 148.16 28.03 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.326 1.45 . . . . 0.0 111.731 173.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.3 mt -147.76 124.08 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.859 1.664 . . . . 0.0 109.772 -169.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -86.01 140.63 30.12 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.247 1.419 . . . . 0.0 108.423 167.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.04 88.61 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.215 1.006 . . . . 0.0 109.493 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.41 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -94.56 -177.05 38.58 Favored Glycine 0 N--CA 1.468 0.813 0 C-N-CA 123.711 0.672 . . . . 0.0 113.431 173.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.77 16.21 72.02 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 123.938 0.78 . . . . 0.0 113.493 -176.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.97 142.23 85.09 Favored Pre-proline 0 C--O 1.24 0.557 0 C-N-CA 124.355 1.062 . . . . 0.0 109.501 175.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.65 141.24 54.2 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 121.791 1.661 . . . . 0.0 108.802 169.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -59.41 -15.19 15.37 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -169.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -88.23 -1.1 57.82 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.468 1.507 . . . . 0.0 114.987 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.0 m -66.29 127.33 31.81 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.796 1.238 . . . . 0.0 109.379 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.6 p -94.53 166.67 11.93 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.99 0.9 . . . . 0.0 112.673 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -56.81 -36.85 70.41 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.465 1.106 . . . . 0.0 111.455 173.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -72.75 -40.16 66.26 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.086 0.954 . . . . 0.0 112.54 173.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.2 m -57.23 -41.31 79.28 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 119.364 0.984 . . . . 0.0 110.62 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.4 tp -73.33 -40.18 64.67 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -59.85 -39.05 83.89 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.383 -0.823 . . . . 0.0 111.765 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.79 -10.48 59.4 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.224 1.409 . . . . 0.0 112.783 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -92.46 -44.7 8.52 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.802 0.728 . . . . 0.0 112.072 169.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -75.72 -13.48 60.31 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -174.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -7.4 38.08 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -73.95 -19.72 60.59 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.695 0.798 . . . . 0.0 112.937 170.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -93.71 -15.61 25.07 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.632 1.173 . . . . 0.0 113.014 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.6 -153.75 24.3 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.499 1.523 . . . . 0.0 112.687 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -86.32 137.78 32.33 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.338 1.055 . . . . 0.0 112.339 -171.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.3 mt -110.25 129.07 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.17 1.388 . . . . 0.0 110.58 -173.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -73.86 -46.89 42.02 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.853 1.261 . . . . 0.0 111.064 169.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -163.51 146.3 10.0 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.62 1.968 . . . . 0.0 109.146 -175.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.72 136.43 23.12 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.094 1.358 . . . . 0.0 109.881 173.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 m -150.8 157.63 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.085 1.354 . . . . 0.0 111.847 -169.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.2 t -121.5 133.1 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.95 1.7 . . . . 0.0 108.265 170.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.6 mm -77.82 110.5 13.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 123.324 0.65 . . . . 0.0 110.601 -172.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.6 p . . . . . 0 N--CA 1.465 0.303 0 C-N-CA 126.253 1.821 . . . . 0.0 109.094 170.378 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 m . . . . . 0 N--CA 1.472 0.662 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -83.05 -6.95 59.69 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.92 5.4 77.45 Favored Glycine 0 N--CA 1.476 1.325 0 C-N-CA 124.722 1.153 . . . . 0.0 114.295 -177.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.41 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 43.4 p90 -143.03 161.78 37.22 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.932 1.293 . . . . 0.0 114.045 177.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.4 -174.05 16.32 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 127.092 2.282 . . . . 0.0 112.364 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -136.42 151.21 49.27 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.794 1.637 . . . . 0.0 111.08 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.3 t -139.18 141.73 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 126.17 1.788 . . . . 0.0 108.267 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.2 m -131.82 132.75 44.0 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.172 0.989 . . . . 0.0 108.895 174.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 80.5 mmm -102.47 145.4 29.62 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.701 1.2 . . . . 0.0 111.423 -172.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -67.98 -23.9 65.08 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -175.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -141.22 146.33 36.75 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.703 1.601 . . . . 0.0 110.929 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -54.9 -43.11 72.94 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.475 1.11 . . . . 0.0 112.472 -174.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.7 -14.07 62.78 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -82.78 -34.56 27.02 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.284 -0.885 . . . . 0.0 111.511 170.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.93 -33.76 66.14 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.171 -0.955 . . . . 0.0 112.277 171.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.13 -39.59 86.82 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.262 0.625 . . . . 0.0 111.847 171.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -68.07 -38.57 82.57 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.691 0.796 . . . . 0.0 112.251 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.81 -39.86 72.82 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.6 p -75.11 -11.05 60.0 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -64.05 -26.91 68.77 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.379 1.472 . . . . 0.0 113.763 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -114.06 109.68 49.3 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.513 1.525 . . . . 0.0 109.521 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.08 -16.09 15.98 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.929 2.419 . . . . 0.0 113.151 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -139.64 77.37 28.15 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 125.025 1.33 . . . . 0.0 111.714 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.24 -11.8 14.52 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 124.181 3.254 . . . . 0.0 116.154 -171.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.3 mm 65.18 54.85 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 125.448 1.499 . . . . 0.0 111.651 176.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.9 mt -69.25 121.13 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.543 1.137 . . . . 0.0 110.397 -174.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.96 19.51 9.9 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.902 2.081 . . . . 0.0 114.192 -178.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.7 25.78 14.58 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.469 1.033 . . . . 0.0 114.928 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -144.7 136.43 25.7 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.488 1.515 . . . . 0.0 109.78 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.75 102.58 0.6 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -173.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.53 168.14 19.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.947 1.299 . . . . 0.0 110.821 169.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -138.63 109.26 6.6 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.731 1.613 . . . . 0.0 108.882 -174.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 81.9 t -108.68 133.91 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.167 1.387 . . . . 0.0 110.804 -169.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -158.02 166.73 31.81 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.844 1.258 . . . . 0.0 112.529 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.0 mt -74.99 18.15 0.19 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.99 1.716 . . . . 0.0 115.488 -174.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.276 0 C-N-CA 127.23 2.212 . . . . 0.0 112.86 -177.359 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 CA--C 1.544 0.73 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.0 p -132.43 -24.22 2.05 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.396 1.478 . . . . 0.0 113.74 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -88.54 128.31 35.56 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.742 1.617 . . . . 0.0 110.592 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.0 mt -127.92 119.41 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.972 1.709 . . . . 0.0 109.494 -168.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -81.8 134.12 35.4 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.1 1.36 . . . . 0.0 108.176 169.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.31 92.06 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.767 0.827 . . . . 0.0 109.55 -176.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.4 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -100.36 -173.93 29.88 Favored Glycine 0 N--CA 1.466 0.673 0 C-N-CA 123.87 0.748 . . . . 0.0 113.778 177.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.03 15.56 67.45 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.345 0.974 . . . . 0.0 113.905 -175.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -72.22 146.51 89.65 Favored Pre-proline 0 C--O 1.24 0.577 0 C-N-CA 124.479 1.112 . . . . 0.0 110.27 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.06 145.59 44.96 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.115 1.877 . . . . 0.0 108.642 168.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -63.59 -10.03 16.43 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -171.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -95.08 -4.01 47.1 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.598 1.559 . . . . 0.0 115.039 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.4 m -66.63 130.47 43.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.485 1.114 . . . . 0.0 109.434 169.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -100.94 167.65 10.13 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.378 1.071 . . . . 0.0 111.699 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.91 -29.17 69.43 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.041 -1.037 . . . . 0.0 112.4 173.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -70.15 -44.61 68.47 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.47 0.708 . . . . 0.0 111.432 171.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -57.19 -44.43 83.59 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.531 1.532 . . . . 0.0 110.769 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.6 tp -73.86 -37.85 64.65 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.42 0.688 . . . . 0.0 112.73 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -60.15 -41.39 92.65 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.742 0.701 . . . . 0.0 111.195 172.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -65.59 -37.41 86.56 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.82 0.848 . . . . 0.0 112.134 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -69.01 -30.05 68.37 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -86.47 -7.03 58.74 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -175.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -67.08 -16.96 64.67 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.636 1.107 . . . . 0.0 113.245 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -74.32 -15.17 60.96 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.52 1.128 . . . . 0.0 113.31 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -97.67 -14.6 20.83 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.437 1.095 . . . . 0.0 113.343 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.89 -144.78 16.85 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.371 0.986 . . . . 0.0 113.34 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -89.32 119.45 29.8 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.341 1.056 . . . . 0.0 112.074 -169.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.5 mt -91.33 131.24 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.451 1.1 . . . . 0.0 109.484 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -94.1 -35.79 12.39 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.119 1.767 . . . . 0.0 111.548 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -164.31 150.91 11.19 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.311 1.844 . . . . 0.0 109.35 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.33 138.91 19.61 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.607 1.163 . . . . 0.0 110.667 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.2 m -151.14 158.85 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.961 1.704 . . . . 0.0 111.231 -173.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.5 t -128.79 133.24 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.396 1.478 . . . . 0.0 107.863 169.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.45 HG13 ' CE1' ' A' ' 78' ' ' TYR . 29.0 mm -78.86 117.59 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 123.657 0.783 . . . . 0.0 110.678 -171.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 N--CA 1.466 0.365 0 C-N-CA 126.5 1.92 . . . . 0.0 107.924 169.63 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 N--CA 1.471 0.597 0 CA-C-O 120.843 0.354 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -84.98 -4.15 59.04 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.7 2.11 90.61 Favored Glycine 0 N--CA 1.474 1.171 0 C-N-CA 124.89 1.233 . . . . 0.0 114.02 -176.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.45 ' CE1' HG13 ' A' ' 67' ' ' ILE . 30.0 p90 -143.87 161.98 37.26 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.715 1.206 . . . . 0.0 114.193 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.11 -171.31 12.33 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 127.334 2.397 . . . . 0.0 111.949 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -134.41 148.46 50.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 125.46 1.504 . . . . 0.0 110.696 176.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.0 t -135.38 136.46 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.251 1.42 . . . . 0.0 107.865 171.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.3 m -119.8 135.72 54.74 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 174.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 85.4 mmm -104.13 142.16 34.97 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.291 1.037 . . . . 0.0 110.451 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -60.03 -21.56 61.52 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -153.37 152.29 30.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.882 1.273 . . . . 0.0 111.692 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -56.98 -29.02 62.9 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.156 1.382 . . . . 0.0 112.656 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.63 -21.41 65.38 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.1 m -90.79 -30.06 17.23 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.247 -0.908 . . . . 0.0 111.909 172.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.8 -34.57 62.42 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.887 -1.133 . . . . 0.0 113.228 175.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -65.34 -31.87 73.22 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.583 -0.698 . . . . 0.0 112.173 174.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -71.13 -34.4 71.01 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.479 1.112 . . . . 0.0 112.27 171.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.97 -30.57 66.88 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.0 p -77.99 -4.13 45.48 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -65.14 -23.3 67.09 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -128.84 105.61 18.49 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.055 1.342 . . . . 0.0 109.535 171.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.5 -14.4 12.95 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.132 2.554 . . . . 0.0 113.169 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -136.71 73.86 53.43 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.634 1.174 . . . . 0.0 111.169 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -78.21 -10.8 16.32 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 124.318 3.345 . . . . 0.0 116.365 -169.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.2 mm 64.73 55.31 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.293 1.437 . . . . 0.0 111.255 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.2 mt -67.2 120.23 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.332 1.053 . . . . 0.0 110.155 -175.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.7 21.4 10.13 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.781 2.032 . . . . 0.0 114.143 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.17 26.07 11.78 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.634 1.111 . . . . 0.0 115.238 174.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -146.35 135.94 23.11 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.002 1.321 . . . . 0.0 109.853 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.98 103.17 0.56 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.55 0.74 . . . . 0.0 112.807 -173.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.66 172.63 13.5 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.723 1.209 . . . . 0.0 110.993 173.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -140.94 109.06 5.76 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.318 1.847 . . . . 0.0 108.676 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.4 t -110.69 124.13 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.764 1.626 . . . . 0.0 109.324 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -162.32 160.53 26.8 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.315 1.046 . . . . 0.0 112.815 172.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.6 mt -52.95 148.1 8.25 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.039 0.936 . . . . 0.0 110.681 171.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.562 1.409 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -176.282 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.7 p -131.79 -23.83 2.24 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.699 1.599 . . . . 0.0 113.376 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 tttp -95.71 133.24 40.04 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.949 0.9 . . . . 0.0 111.646 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.0 mt -129.17 122.95 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 126.152 1.781 . . . . 0.0 109.288 -168.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -87.04 137.69 32.13 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.121 1.369 . . . . 0.0 108.032 168.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.3 t -137.37 94.35 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 123.939 0.895 . . . . 0.0 109.646 -175.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.73 -174.45 28.15 Favored Glycine 0 N--CA 1.467 0.738 0 C-N-CA 123.325 0.488 . . . . 0.0 113.334 173.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.06 14.44 73.59 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.14 0.876 . . . . 0.0 114.149 -174.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.5 mt -70.66 144.08 90.68 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 124.68 1.192 . . . . 0.0 110.106 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -70.43 144.43 50.46 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.311 2.007 . . . . 0.0 109.245 169.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.4 m-30 -63.31 -10.43 16.23 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -170.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -89.72 -1.02 57.9 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.298 1.439 . . . . 0.0 114.77 174.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.6 m -68.21 137.7 55.01 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.12 1.368 . . . . 0.0 109.38 171.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.5 p -112.44 169.59 8.77 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.75 0.82 . . . . 0.0 112.583 174.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.56 -36.83 67.25 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.618 1.167 . . . . 0.0 111.613 173.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -68.32 -43.17 78.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.28 1.432 . . . . 0.0 111.948 173.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.9 m -59.93 -47.3 86.36 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.342 1.057 . . . . 0.0 110.818 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 tp -73.11 -34.95 66.46 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -59.82 -43.99 94.24 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.641 0.655 . . . . 0.0 110.805 170.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -69.33 -37.06 77.54 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.477 0.711 . . . . 0.0 112.107 -175.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -65.66 -31.12 71.97 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 177.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -86.91 -6.52 58.75 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -176.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.77 -16.92 64.35 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.684 1.129 . . . . 0.0 113.053 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -71.75 -14.58 62.05 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.233 1.013 . . . . 0.0 113.277 175.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -99.56 -13.68 19.33 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.625 1.17 . . . . 0.0 113.411 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.64 -147.47 19.15 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.357 0.979 . . . . 0.0 113.322 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.32 129.01 34.91 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.064 0.945 . . . . 0.0 112.602 -172.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.5 mt -105.01 126.91 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.958 1.303 . . . . 0.0 109.44 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -82.25 -44.79 15.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.958 1.703 . . . . 0.0 110.309 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -165.11 150.65 9.6 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.797 2.039 . . . . 0.0 109.382 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.63 144.47 27.22 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.646 1.178 . . . . 0.0 111.273 176.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -150.44 159.09 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.261 1.424 . . . . 0.0 112.171 -173.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.0 t -123.45 134.13 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 126.213 1.805 . . . . 0.0 108.384 169.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mm -81.03 110.26 16.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 124.71 1.204 . . . . 0.0 110.689 -172.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.465 0.318 0 C-N-CA 126.268 1.827 . . . . 0.0 109.225 170.399 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.8 t . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 120.953 0.406 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.0 mtt-85 -92.65 3.81 54.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.15 0.98 . . . . 0.0 113.349 177.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.81 11.76 76.17 Favored Glycine 0 N--CA 1.472 1.052 0 C-N-CA 124.411 1.005 . . . . 0.0 114.247 176.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -146.37 164.79 31.3 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -155.22 -175.42 26.25 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 127.461 2.457 . . . . 0.0 112.095 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -136.03 147.94 48.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.696 1.599 . . . . 0.0 110.766 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.4 t -137.28 133.66 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.787 1.635 . . . . 0.0 108.183 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.7 m -119.6 125.35 48.56 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 82.4 mmm -97.44 145.16 26.45 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.346 1.058 . . . . 0.0 110.47 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -67.91 -20.94 65.14 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -175.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -147.65 151.23 35.82 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.37 1.468 . . . . 0.0 111.225 177.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -51.93 -38.42 56.31 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.372 1.069 . . . . 0.0 112.191 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.94 -16.95 62.69 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.8 m -84.53 -30.86 24.76 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.362 -0.836 . . . . 0.0 111.724 170.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.38 -35.04 65.85 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.937 -1.102 . . . . 0.0 112.395 171.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -57.2 -39.54 75.59 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.007 0.923 . . . . 0.0 111.638 170.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -70.88 -31.67 68.41 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.858 0.863 . . . . 0.0 112.686 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.69 -33.49 64.45 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.3 p -78.75 -4.26 48.41 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.827 1.418 . . . . 0.0 114.827 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.55 -25.72 68.2 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -132.87 108.21 12.83 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.531 1.532 . . . . 0.0 109.735 174.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.5 -13.12 16.7 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.963 2.442 . . . . 0.0 113.142 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -133.12 73.22 75.2 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 124.475 1.11 . . . . 0.0 111.819 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.11 -10.64 13.77 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 124.256 3.304 . . . . 0.0 116.15 -170.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 65.23 59.34 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 125.812 1.645 . . . . 0.0 111.265 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.7 mt -71.39 120.32 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.302 1.041 . . . . 0.0 109.886 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 t0 57.05 29.25 16.16 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.324 1.85 . . . . 0.0 113.736 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.99 28.18 14.39 Favored Glycine 0 CA--C 1.534 1.263 0 N-CA-C 115.68 1.032 . . . . 0.0 115.68 171.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -152.25 140.44 20.36 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.816 1.246 . . . . 0.0 109.649 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.35 102.58 0.42 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.521 0.728 . . . . 0.0 112.662 -174.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.97 170.68 16.2 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.566 1.146 . . . . 0.0 110.518 171.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -145.19 99.15 3.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.979 1.712 . . . . 0.0 108.306 -172.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 87.6 t -107.33 126.97 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 126.127 1.771 . . . . 0.0 110.196 -168.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -163.59 163.18 24.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.962 1.305 . . . . 0.0 112.231 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.35 150.76 14.14 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.586 -0.696 . . . . 0.0 110.661 173.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.362 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 -177.149 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.8 p -126.83 -16.56 5.15 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.953 1.301 . . . . 0.0 114.186 -173.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -91.77 121.83 33.76 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.061 1.744 . . . . 0.0 110.433 174.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 mt -126.76 123.76 63.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.456 1.503 . . . . 0.0 110.725 -167.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -86.61 134.66 33.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.804 1.642 . . . . 0.0 108.416 169.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.7 t -135.46 90.22 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.323 1.049 . . . . 0.0 109.295 -173.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.63 -173.33 30.78 Favored Glycine 0 N--CA 1.466 0.646 0 C-N-CA 124.188 0.899 . . . . 0.0 114.207 177.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.81 15.19 71.14 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.602 1.096 . . . . 0.0 114.124 -174.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.3 mt -70.9 145.08 91.33 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 124.828 1.251 . . . . 0.0 110.472 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.9 142.17 42.29 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 122.103 1.868 . . . . 0.0 108.654 168.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -61.99 -13.12 22.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -169.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -88.78 -0.66 57.54 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.405 1.482 . . . . 0.0 114.765 175.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.7 m -64.99 131.85 47.68 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.715 1.206 . . . . 0.0 109.124 172.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.3 m -106.47 168.41 9.18 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.952 0.901 . . . . 0.0 111.925 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -58.63 -40.28 82.89 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.379 -0.826 . . . . 0.0 111.897 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.04 -40.89 91.35 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.518 0.727 . . . . 0.0 112.043 174.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 m -56.4 -46.54 80.11 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.925 1.29 . . . . 0.0 110.58 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.0 tp -75.25 -34.63 61.42 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -61.87 -42.83 99.53 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.03 0.832 . . . . 0.0 111.316 171.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.29 -41.57 76.64 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.105 0.962 . . . . 0.0 111.384 -175.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -61.68 -32.75 72.96 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -86.62 -5.55 59.1 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -67.63 -18.11 64.85 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.863 1.21 . . . . 0.0 112.987 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -70.16 -15.69 62.98 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.818 0.847 . . . . 0.0 113.103 174.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -100.29 -11.87 19.98 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.706 1.202 . . . . 0.0 113.417 -177.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.16 -143.53 15.19 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 124.439 1.019 . . . . 0.0 113.525 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -94.16 136.18 34.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.017 1.327 . . . . 0.0 112.205 -169.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.4 mt -116.98 129.52 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.865 1.266 . . . . 0.0 111.071 -168.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.48 -44.71 23.84 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.457 1.503 . . . . 0.0 111.961 171.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -164.02 145.74 8.93 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.515 1.926 . . . . 0.0 108.671 -169.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.01 127.18 7.06 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.292 1.037 . . . . 0.0 110.633 173.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.8 m -154.47 158.07 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.209 1.404 . . . . 0.0 111.469 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.57 134.78 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.041 1.736 . . . . 0.0 108.823 173.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.8 mm -78.96 109.02 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.973 0.892 . . . . 0.0 109.908 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 CA--C 1.516 -0.338 0 C-N-CA 125.75 1.62 . . . . 0.0 109.148 169.14 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.0 mtt-85 -104.5 0.67 29.05 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.485 1.114 . . . . 0.0 113.579 170.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.43 14.81 81.76 Favored Glycine 0 N--CA 1.47 0.921 0 O-C-N 121.435 -0.79 . . . . 0.0 113.765 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -145.31 156.16 43.64 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.59 1.195 . . . . 0.0 113.772 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.13 -176.28 14.43 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 126.935 2.207 . . . . 0.0 112.332 175.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -126.61 147.83 49.86 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.451 1.5 . . . . 0.0 109.987 173.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.0 133.97 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 126.341 1.856 . . . . 0.0 107.436 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.0 m -126.3 134.37 51.15 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 81.9 mmm -104.15 147.09 27.84 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.406 1.082 . . . . 0.0 110.927 -172.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -68.25 -18.8 64.64 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -155.63 152.28 28.52 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.939 1.296 . . . . 0.0 111.874 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -57.25 -30.5 64.69 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.887 1.275 . . . . 0.0 112.689 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.53 -17.0 63.55 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 175.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.3 m -92.43 -34.89 13.95 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.97 -1.081 . . . . 0.0 111.161 169.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.78 73.45 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.68 -37.71 88.36 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.764 0.711 . . . . 0.0 111.967 175.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -70.78 -35.3 72.52 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.439 1.096 . . . . 0.0 112.138 172.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.97 -38.61 79.47 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.8 p -79.83 -8.04 59.05 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.915 1.079 . . . . 0.0 113.915 176.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -60.95 -32.63 72.15 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.364 1.466 . . . . 0.0 113.779 -175.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -113.48 110.62 50.04 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.456 1.503 . . . . 0.0 109.492 172.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.84 -16.34 14.55 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.898 2.399 . . . . 0.0 113.147 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -138.17 76.27 38.87 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.177 1.391 . . . . 0.0 111.288 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.92 -11.15 13.87 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.955 3.103 . . . . 0.0 115.932 -169.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.9 mm 66.46 57.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 125.358 1.463 . . . . 0.0 111.43 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.5 mt -70.52 119.37 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.339 1.056 . . . . 0.0 110.233 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.62 21.73 11.59 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.947 2.099 . . . . 0.0 114.312 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.21 28.25 10.03 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.507 1.051 . . . . 0.0 115.15 174.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -147.77 138.33 23.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.43 1.492 . . . . 0.0 109.448 178.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.26 104.16 0.46 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.516 0.674 . . . . 0.0 112.382 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.53 170.44 16.34 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.686 1.195 . . . . 0.0 110.073 169.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -140.95 115.99 9.83 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.136 1.775 . . . . 0.0 108.739 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.7 t -113.39 126.7 70.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.998 1.319 . . . . 0.0 109.821 -171.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -159.99 161.24 34.06 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.894 1.277 . . . . 0.0 112.093 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.97 154.03 27.66 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.212 -0.93 . . . . 0.0 110.803 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -176.906 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.8 p -135.77 -21.29 1.49 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.546 1.138 . . . . 0.0 114.07 -177.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -86.92 129.96 34.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.306 1.443 . . . . 0.0 110.546 171.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.7 mt -129.5 119.22 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 126.053 1.741 . . . . 0.0 109.269 -169.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -81.98 137.34 35.15 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.662 1.185 . . . . 0.0 108.019 168.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.426 HG13 HG22 ' A' ' 107' ' ' VAL . 43.7 t -135.39 92.23 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.614 0.766 . . . . 0.0 109.463 -178.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.451 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -101.97 -175.74 27.94 Favored Glycine 0 N--CA 1.469 0.89 0 C-N-CA 123.067 0.365 . . . . 0.0 113.452 177.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.27 19.73 70.66 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 123.737 0.684 . . . . 0.0 113.631 -174.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.5 mt -73.98 145.02 83.18 Favored Pre-proline 0 C--O 1.24 0.562 0 C-N-CA 124.499 1.12 . . . . 0.0 109.919 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -69.76 145.13 56.21 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.181 1.921 . . . . 0.0 109.263 169.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -62.58 -11.7 18.33 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -170.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -90.47 2.03 56.09 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.385 1.474 . . . . 0.0 114.835 175.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.6 m -71.06 135.53 47.8 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.072 1.349 . . . . 0.0 109.741 173.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.6 m -111.96 168.87 9.25 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.41 1.084 . . . . 0.0 111.989 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -52.86 -36.01 58.43 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.703 1.201 . . . . 0.0 112.869 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -76.3 -40.4 51.71 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.3 1.04 . . . . 0.0 111.928 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -54.83 -43.95 73.44 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.61 1.164 . . . . 0.0 110.558 174.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.1 tp -74.85 -40.19 61.14 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -59.62 -41.3 90.1 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.708 0.685 . . . . 0.0 111.399 173.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.07 -34.36 73.1 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.4 1.08 . . . . 0.0 111.67 -175.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -70.16 -33.16 71.42 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.404 -0.81 . . . . 0.0 112.887 173.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -80.58 -8.85 59.74 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -175.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.11 -16.93 64.37 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.527 1.058 . . . . 0.0 113.175 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -72.7 -21.89 60.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.031 0.932 . . . . 0.0 113.35 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -89.64 -20.73 23.33 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.208 1.003 . . . . 0.0 113.048 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.5 -144.66 15.11 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.06 1.314 . . . . 0.0 112.909 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -87.55 124.9 33.97 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.076 0.95 . . . . 0.0 112.212 -170.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.0 mt -99.96 128.04 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.689 1.196 . . . . 0.0 109.922 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -90.62 -36.45 14.4 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.687 1.595 . . . . 0.0 111.712 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -166.62 152.19 8.18 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.654 1.982 . . . . 0.0 109.342 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.69 140.15 18.73 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.529 1.131 . . . . 0.0 111.225 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.7 m -151.04 159.14 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.848 1.659 . . . . 0.0 111.375 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.6 t -126.66 133.34 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.345 1.458 . . . . 0.0 107.782 169.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.445 HG13 ' CE2' ' A' ' 78' ' ' TYR . 49.2 mm -76.11 116.18 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 123.641 0.776 . . . . 0.0 110.5 -171.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.1 p . . . . . 0 N--CA 1.468 0.46 0 C-N-CA 126.568 1.947 . . . . 0.0 108.743 172.507 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 120.92 0.39 . . . . 0.0 111.702 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -84.98 -5.01 59.36 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.23 4.42 88.17 Favored Glycine 0 N--CA 1.474 1.226 0 C-N-CA 124.681 1.134 . . . . 0.0 114.163 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.451 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 27.7 p90 -146.7 162.94 37.45 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.236 1.414 . . . . 0.0 114.119 177.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.66 -172.7 13.07 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 127.246 2.355 . . . . 0.0 112.315 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -135.28 146.83 48.92 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.73 1.612 . . . . 0.0 110.726 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.8 t -134.7 140.37 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.307 1.443 . . . . 0.0 108.345 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.7 m -121.27 132.0 54.55 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 172.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 88.6 mmm -104.07 145.25 30.45 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.217 1.007 . . . . 0.0 110.774 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -67.46 -17.47 64.71 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -147.34 145.49 29.33 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.241 1.816 . . . . 0.0 110.884 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -57.77 -33.07 68.12 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.615 1.566 . . . . 0.0 112.166 174.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.59 -19.42 64.45 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.426 1.091 . . . . 0.0 113.894 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.6 m -89.09 -33.5 17.08 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.337 -0.852 . . . . 0.0 111.778 170.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.29 -36.1 71.54 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.18 -0.95 . . . . 0.0 113.531 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.95 -41.09 97.59 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.531 0.605 . . . . 0.0 111.397 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.7 mtp-105 -63.18 -27.94 69.71 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.949 0.9 . . . . 0.0 112.935 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.11 -48.76 19.48 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.713 0.805 . . . . 0.0 112.076 174.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.9 p -69.86 -19.2 63.45 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -177.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -66.33 -18.23 65.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.142 1.377 . . . . 0.0 114.684 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -121.63 82.27 40.82 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 126.114 1.766 . . . . 0.0 109.514 174.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.47 -22.27 14.18 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.149 2.566 . . . . 0.0 114.194 -169.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -122.34 75.84 43.01 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 124.222 1.009 . . . . 0.0 111.632 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.9 -14.68 12.29 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 124.018 3.146 . . . . 0.0 115.808 -174.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.9 mm 64.58 55.55 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 125.608 1.563 . . . . 0.0 111.017 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.95 118.73 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.122 -0.986 . . . . 0.0 109.808 -175.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.12 23.11 9.76 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.544 1.938 . . . . 0.0 114.182 177.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.36 32.56 6.3 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.652 1.12 . . . . 0.0 115.745 171.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.28 137.24 18.18 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.812 1.306 . . . . 0.0 109.068 175.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -62.11 102.99 0.33 Allowed 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.753 -0.592 . . . . 0.0 112.332 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.55 171.24 15.4 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.861 1.264 . . . . 0.0 111.731 173.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -137.19 95.05 3.02 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.848 2.059 . . . . 0.0 108.499 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 39' ' ' VAL . 98.4 t -96.6 123.57 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.52 1.528 . . . . 0.0 109.206 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -159.22 160.82 35.82 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.966 0.906 . . . . 0.0 112.988 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.05 142.43 42.22 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 169.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.563 1.449 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -175.858 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 . . . . . 0 CA--C 1.541 0.625 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.1 p -138.24 -17.95 1.16 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.164 1.386 . . . . 0.0 114.341 -172.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -89.46 124.64 34.67 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.542 1.537 . . . . 0.0 110.62 175.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.8 mt -126.37 120.66 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.362 1.465 . . . . 0.0 109.755 -169.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -82.82 138.39 33.98 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.253 1.421 . . . . 0.0 108.698 169.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.5 t -136.15 90.93 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.13 0.972 . . . . 0.0 109.617 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.46 -176.12 35.74 Favored Glycine 0 N--CA 1.47 0.92 0 C-N-CA 123.444 0.545 . . . . 0.0 112.999 175.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.9 15.03 71.19 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.18 0.895 . . . . 0.0 114.082 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.44 145.06 87.32 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 124.682 1.193 . . . . 0.0 110.057 175.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -70.02 143.29 49.15 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.18 1.92 . . . . 0.0 109.051 169.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -61.23 -13.54 19.24 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.505 1.669 . . . . 0.0 115.505 -169.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -89.74 -0.14 57.35 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.36 1.464 . . . . 0.0 114.793 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -68.15 130.04 41.74 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.742 1.217 . . . . 0.0 109.426 174.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -96.77 165.41 12.13 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.971 0.891 . . . . 0.0 112.392 173.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -55.1 -33.04 62.49 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.407 1.083 . . . . 0.0 112.743 170.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -80.9 -34.19 33.66 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.452 -0.785 . . . . 0.0 112.454 175.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.3 m -59.2 -42.28 90.53 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 119.381 0.991 . . . . 0.0 110.283 174.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 tp -70.93 -39.93 72.38 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.188 0.595 . . . . 0.0 112.57 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -60.86 -38.29 85.06 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.717 -0.615 . . . . 0.0 111.787 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -72.81 -16.8 61.61 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.8 1.24 . . . . 0.0 112.96 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -87.98 -43.16 11.95 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.948 0.794 . . . . 0.0 111.992 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -76.89 -15.91 59.55 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -7.27 41.42 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.61 -18.7 61.02 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.622 0.769 . . . . 0.0 112.824 169.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -93.93 -14.22 26.24 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.693 1.197 . . . . 0.0 113.34 -175.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.37 -146.6 18.41 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 124.639 1.114 . . . . 0.0 113.008 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -88.18 123.11 32.49 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.189 0.996 . . . . 0.0 112.16 -170.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.4 mt -93.04 132.9 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.353 1.061 . . . . 0.0 109.982 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -97.15 -32.43 11.95 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.02 2.128 . . . . 0.0 112.113 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -161.06 147.47 14.8 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.979 2.112 . . . . 0.0 108.403 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.21 135.88 18.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.376 1.07 . . . . 0.0 110.553 173.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.3 m -152.85 160.31 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.326 1.45 . . . . 0.0 111.9 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.6 t -129.06 128.74 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 167.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.445 HG13 ' CE1' ' A' ' 78' ' ' TYR . 48.3 mm -77.99 111.64 15.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 124.065 0.946 . . . . 0.0 110.728 -169.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.465 0.31 0 C-N-CA 126.638 1.975 . . . . 0.0 109.26 175.266 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 N--CA 1.472 0.633 0 CA-C-O 121.046 0.45 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -80.26 -10.14 59.75 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 170.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.17 9.5 86.54 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 123.838 0.732 . . . . 0.0 113.578 -171.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.445 ' CE1' HG13 ' A' ' 67' ' ' ILE . 9.6 p90 -137.52 158.15 45.01 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.707 1.254 . . . . 0.0 114.043 174.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.28 -171.79 13.32 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 127.355 2.407 . . . . 0.0 112.377 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -135.42 150.95 50.0 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.546 1.538 . . . . 0.0 110.89 175.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.6 t -138.13 129.53 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.38 1.472 . . . . 0.0 107.885 169.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.5 m -112.96 133.61 54.85 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 174.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 82.4 mmm -102.59 142.4 33.83 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.353 1.061 . . . . 0.0 110.408 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -64.22 -19.25 65.23 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -154.22 152.43 30.32 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.966 1.306 . . . . 0.0 112.235 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -57.46 -29.48 64.25 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.629 1.171 . . . . 0.0 113.276 178.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.16 -25.53 65.31 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.732 1.151 . . . . 0.0 113.379 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.1 m -84.86 -34.96 22.52 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.631 -0.668 . . . . 0.0 111.43 171.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.97 82.07 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.207 -0.933 . . . . 0.0 113.036 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -60.48 -34.77 74.52 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.247 1.019 . . . . 0.0 112.644 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -72.72 -38.04 67.58 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.141 0.576 . . . . 0.0 111.73 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.11 -39.88 63.06 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.7 p -74.19 -14.9 61.01 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -18.63 59.83 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -169.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -112.04 104.94 56.4 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 125.252 1.421 . . . . 0.0 109.07 169.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.26 -17.81 12.98 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.923 2.415 . . . . 0.0 113.106 -176.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -136.88 77.51 43.93 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.742 1.217 . . . . 0.0 111.825 -175.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.73 -13.84 14.35 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 124.099 3.199 . . . . 0.0 115.892 -174.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.4 mm 64.59 54.97 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 125.605 1.562 . . . . 0.0 111.33 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -69.87 120.68 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.323 1.049 . . . . 0.0 110.343 -174.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.22 21.81 9.98 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.848 2.059 . . . . 0.0 114.129 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.32 28.9 8.75 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.595 1.093 . . . . 0.0 115.438 173.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -150.0 139.35 21.37 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.071 1.348 . . . . 0.0 109.831 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -64.69 102.82 0.61 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.475 0.655 . . . . 0.0 112.418 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.42 163.44 24.79 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.665 1.186 . . . . 0.0 110.338 169.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -132.91 106.17 7.54 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.674 1.59 . . . . 0.0 108.393 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.5 t -108.61 125.78 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.318 1.447 . . . . 0.0 110.273 -169.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -166.04 163.88 18.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.958 1.303 . . . . 0.0 112.507 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.6 mt -55.87 152.21 10.32 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.745 0.818 . . . . 0.0 111.277 174.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.558 1.277 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 . . . . . 0 CA--C 1.544 0.725 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.05 -22.8 2.53 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.914 1.286 . . . . 0.0 113.786 177.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -88.65 133.05 34.31 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.97 1.308 . . . . 0.0 111.37 172.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.8 mt -130.57 120.76 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 126.609 1.964 . . . . 0.0 109.228 -169.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -84.43 137.93 33.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.749 1.219 . . . . 0.0 108.36 168.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.411 HG13 HG22 ' A' ' 107' ' ' VAL . 53.9 t -137.52 90.86 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.02 0.928 . . . . 0.0 109.701 -176.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.88 -176.02 30.74 Favored Glycine 0 N--CA 1.47 0.94 0 C-N-CA 122.981 0.324 . . . . 0.0 113.187 174.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.85 16.94 76.52 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.778 0.704 . . . . 0.0 113.835 -176.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.2 mt -73.96 147.36 86.09 Favored Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 125.106 1.362 . . . . 0.0 109.548 172.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.52 151.86 53.54 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.03 1.82 . . . . 0.0 109.368 169.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -64.11 -11.02 26.12 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -171.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -92.32 -5.24 52.63 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.4 m -66.9 139.87 57.75 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.951 1.301 . . . . 0.0 110.291 174.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.2 m -115.5 168.52 9.92 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.229 1.012 . . . . 0.0 112.411 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -57.87 -35.88 71.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.51 1.124 . . . . 0.0 113.063 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -69.91 -40.65 75.45 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.781 -0.575 . . . . 0.0 111.613 174.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.9 m -57.85 -44.71 86.71 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.235 1.414 . . . . 0.0 110.606 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.0 tp -73.92 -36.21 64.69 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -60.0 -42.84 95.13 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.747 0.703 . . . . 0.0 111.113 171.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.32 -41.11 85.81 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.114 0.965 . . . . 0.0 111.73 -176.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -65.87 -32.44 73.96 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -83.17 -7.24 59.65 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -175.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -66.56 -17.99 65.12 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.727 1.149 . . . . 0.0 113.019 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -71.23 -16.86 62.52 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.01 0.924 . . . . 0.0 113.363 174.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -96.89 -12.85 22.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.601 1.16 . . . . 0.0 112.961 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.69 -160.28 23.97 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.6 1.571 . . . . 0.0 112.824 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -76.93 139.38 40.16 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.334 1.454 . . . . 0.0 112.251 -175.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.6 mt -116.96 130.65 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.341 1.456 . . . . 0.0 110.473 -168.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.75 -47.91 28.48 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.879 1.272 . . . . 0.0 111.204 173.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -168.91 151.39 4.89 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.532 1.933 . . . . 0.0 109.168 -172.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.77 146.37 30.25 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.827 1.251 . . . . 0.0 110.558 172.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.5 m -150.04 157.22 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.804 1.642 . . . . 0.0 111.203 -173.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.9 t -125.55 131.93 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.186 1.394 . . . . 0.0 107.487 169.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.435 HG13 ' CE2' ' A' ' 78' ' ' TYR . 50.3 mm -77.64 111.73 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 123.818 0.847 . . . . 0.0 110.775 -169.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.47 0.532 0 C-N-CA 126.726 2.01 . . . . 0.0 108.577 171.528 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -82.69 -10.34 58.96 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.83 9.57 82.59 Favored Glycine 0 N--CA 1.473 1.151 0 C-N-CA 123.996 0.808 . . . . 0.0 113.717 -173.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.435 ' CE2' HG13 ' A' ' 67' ' ' ILE . 8.6 p90 -142.63 161.32 38.38 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.632 1.173 . . . . 0.0 114.075 175.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.56 -172.3 15.04 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 127.39 2.424 . . . . 0.0 112.607 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -136.48 149.6 48.27 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.183 1.793 . . . . 0.0 110.759 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.5 t -137.72 142.17 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 126.018 1.727 . . . . 0.0 108.43 174.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.9 m -127.31 135.67 50.87 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.86 0.864 . . . . 0.0 108.994 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 90.3 mmm -102.47 142.89 32.92 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.435 1.094 . . . . 0.0 111.574 -173.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -69.76 -19.75 63.51 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.917 1.081 . . . . 0.0 113.917 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -136.66 145.32 44.67 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.363 1.465 . . . . 0.0 111.031 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -67.05 -35.18 79.3 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.276 1.03 . . . . 0.0 112.743 -171.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.59 -30.04 69.55 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 173.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 m -68.55 -29.92 68.59 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.751 -1.218 . . . . 0.0 112.589 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.24 -30.73 66.69 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.308 -0.87 . . . . 0.0 112.16 169.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.08 -26.91 63.26 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.9 mtt85 -70.14 -33.5 71.87 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.336 -0.852 . . . . 0.0 111.435 170.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.23 -48.28 29.88 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.043 0.937 . . . . 0.0 112.932 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.4 p -70.87 -16.32 62.69 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm -68.35 -15.83 63.71 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 173.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -119.82 88.4 39.87 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 124.761 1.225 . . . . 0.0 109.638 169.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -76.89 -20.87 12.91 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.352 2.701 . . . . 0.0 113.093 -174.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -128.68 73.08 81.13 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.59 1.156 . . . . 0.0 112.093 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.36 -11.75 10.61 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 124.512 3.475 . . . . 0.0 115.798 -173.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 mm 64.55 55.88 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 125.776 1.63 . . . . 0.0 111.148 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.3 mt -70.0 123.68 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.052 -1.03 . . . . 0.0 109.508 -177.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 t0 64.65 13.6 8.44 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.684 1.594 . . . . 0.0 113.666 171.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.24 36.22 5.25 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.554 1.55 . . . . 0.0 115.205 176.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -152.9 144.2 23.22 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.437 1.118 . . . . 0.0 109.407 169.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -62.99 96.05 0.09 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.404 0.682 . . . . 0.0 111.849 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.06 164.79 25.53 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.169 0.988 . . . . 0.0 111.013 174.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -134.47 92.84 2.97 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.924 1.69 . . . . 0.0 107.817 -176.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.411 HG22 HG13 ' A' ' 39' ' ' VAL . 98.2 t -100.53 124.33 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.736 1.614 . . . . 0.0 109.59 -170.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -164.56 159.71 19.49 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.318 1.047 . . . . 0.0 112.667 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.3 mt -52.59 146.11 10.62 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.6 0.76 . . . . 0.0 110.189 169.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 1.348 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -176.559 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.3 p -133.78 -20.21 2.01 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.535 1.134 . . . . 0.0 113.923 -176.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -88.34 134.18 33.89 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.476 1.131 . . . . 0.0 111.159 169.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.0 mt -126.69 122.68 61.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 127.133 2.173 . . . . 0.0 108.121 -168.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -77.91 135.47 37.88 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.963 1.305 . . . . 0.0 108.416 168.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 t -135.53 78.66 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 124.286 1.034 . . . . 0.0 109.297 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.34 177.5 50.38 Favored Glycine 0 N--CA 1.466 0.641 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.38 169.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.39 22.99 66.34 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.782 1.182 . . . . 0.0 113.986 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.5 mt -80.97 151.15 70.11 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 125.314 1.446 . . . . 0.0 110.725 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.22 143.28 31.67 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.033 1.822 . . . . 0.0 108.322 167.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.09 -12.33 18.7 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -169.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -91.15 1.12 57.33 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.487 1.515 . . . . 0.0 114.803 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.4 m -66.69 135.01 53.4 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.812 1.245 . . . . 0.0 109.401 171.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.9 m -109.9 168.7 9.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.977 0.911 . . . . 0.0 112.086 175.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.94 -38.48 72.98 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.623 1.169 . . . . 0.0 112.315 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -72.92 -36.25 67.21 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.884 0.874 . . . . 0.0 112.31 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 m -57.81 -41.08 81.43 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.928 1.291 . . . . 0.0 110.801 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 tp -73.04 -40.43 65.13 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.608 0.763 . . . . 0.0 112.502 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -59.63 -38.2 80.72 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.701 -0.624 . . . . 0.0 111.715 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -72.12 -14.46 61.84 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.974 1.31 . . . . 0.0 113.266 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -91.23 -41.22 11.09 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.232 0.924 . . . . 0.0 112.555 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.08 -14.19 59.3 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -174.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -6.96 40.97 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -179.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -76.54 -17.32 59.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.873 0.869 . . . . 0.0 112.95 170.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -95.5 -14.66 23.49 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.626 1.17 . . . . 0.0 113.456 -175.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.98 -146.76 18.23 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.641 1.115 . . . . 0.0 112.723 -178.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -89.34 123.48 33.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.065 0.946 . . . . 0.0 112.292 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.8 mt -95.68 128.3 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.404 1.082 . . . . 0.0 109.692 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -81.28 -45.92 15.52 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.075 1.75 . . . . 0.0 110.282 174.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -164.75 148.62 9.02 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.694 1.997 . . . . 0.0 109.584 177.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.49 142.54 32.29 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.644 1.178 . . . . 0.0 110.954 176.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.3 m -148.86 157.06 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.945 1.298 . . . . 0.0 112.277 -173.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.4 t -120.47 134.48 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.921 1.689 . . . . 0.0 107.87 169.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 30.6 mm -84.69 99.47 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.533 1.133 . . . . 0.0 109.93 -169.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.474 0.766 0 C-N-CA 127.731 2.413 . . . . 0.0 109.747 -178.123 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.474 0.739 0 CA-C-O 120.856 0.36 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -89.31 2.41 54.39 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.972 0.909 . . . . 0.0 113.232 173.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.8 8.92 83.68 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 124.56 1.076 . . . . 0.0 113.984 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -138.57 155.56 48.25 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.56 -179.11 16.89 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 127.486 2.47 . . . . 0.0 112.12 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -136.13 145.86 46.32 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.456 1.502 . . . . 0.0 110.19 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.0 t -134.81 125.88 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.787 1.235 . . . . 0.0 109.054 176.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.6 m -106.98 125.78 51.45 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.383 1.073 . . . . 0.0 108.493 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 80.3 mmm -95.0 151.04 19.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.895 1.278 . . . . 0.0 110.3 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -72.75 -17.1 61.63 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -156.22 153.64 29.5 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.172 1.389 . . . . 0.0 112.216 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -57.46 -28.69 63.58 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.387 1.075 . . . . 0.0 113.286 178.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.05 -24.92 63.34 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.2 m -84.73 -33.75 23.03 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.427 -0.796 . . . . 0.0 111.291 169.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.69 -34.77 74.39 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.17 -42.61 88.68 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.907 0.776 . . . . 0.0 111.056 175.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -61.04 -31.48 71.12 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.385 1.074 . . . . 0.0 111.864 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.59 -12.09 60.0 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.2 p -108.97 -0.84 19.39 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -60.12 -28.59 67.99 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -122.54 111.37 31.56 Favored Pre-proline 0 CA--C 1.547 0.827 0 C-N-CA 126.128 1.771 . . . . 0.0 109.389 170.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -79.85 -12.38 13.48 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.136 2.558 . . . . 0.0 113.489 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -132.48 71.01 79.49 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 124.928 1.291 . . . . 0.0 112.218 -178.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -79.41 -11.53 14.4 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 124.376 3.384 . . . . 0.0 116.561 -171.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.3 mm 64.86 60.49 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 125.969 1.707 . . . . 0.0 111.449 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.0 mt -71.76 117.28 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.095 -1.003 . . . . 0.0 110.165 -176.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 t70 61.27 15.92 6.86 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.028 2.131 . . . . 0.0 114.796 174.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.24 34.52 3.64 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.081 1.324 . . . . 0.0 115.619 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -154.04 141.77 20.0 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.843 1.257 . . . . 0.0 109.606 172.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -66.62 103.03 0.99 Allowed 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.713 -0.617 . . . . 0.0 111.857 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.1 161.75 29.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.27 1.028 . . . . 0.0 111.105 175.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -127.33 110.58 12.96 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.157 1.383 . . . . 0.0 108.361 171.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 58.2 t -113.95 122.67 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.865 1.266 . . . . 0.0 110.38 -169.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -165.76 163.67 18.9 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.897 1.679 . . . . 0.0 111.615 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.7 mt -56.26 146.26 24.24 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.436 0.694 . . . . 0.0 111.314 174.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 1.228 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -178.851 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.474 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -144.84 -19.97 0.51 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.792 1.237 . . . . 0.0 114.289 -170.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 p -141.4 -179.09 5.93 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.915 1.286 . . . . 0.0 111.557 -177.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -86.09 0.94 52.26 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.955 1.302 . . . . 0.0 113.73 171.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -88.99 28.99 1.09 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.604 1.562 . . . . 0.0 112.918 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -164.88 158.27 14.48 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 127.536 2.334 . . . . 0.0 109.17 -169.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.96 68.78 4.78 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.575 2.85 . . . . 0.0 111.454 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.0 -4.92 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 126.052 1.741 . . . . 0.0 113.483 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 m -149.18 155.94 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 128.14 2.576 . . . . 0.0 109.206 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.64 -175.81 27.09 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 123.883 0.754 . . . . 0.0 114.734 -177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.9 p -79.4 -5.35 54.44 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -177.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 73.9 -2.79 2.68 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 127.786 2.434 . . . . 0.0 114.888 174.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -153.19 135.05 14.62 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.766 1.626 . . . . 0.0 110.526 -177.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.3 p 68.21 -44.0 0.49 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 129.141 2.976 . . . . 0.0 112.888 -169.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 54.4 ttm -58.61 -23.23 58.44 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.382 1.073 . . . . 0.0 113.063 173.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -121.37 8.34 10.21 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.374 1.469 . . . . 0.0 113.7 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.8 p -141.38 -20.05 0.77 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -99.33 128.18 45.42 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.101 1.36 . . . . 0.0 110.451 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.0 mt -125.41 119.63 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.514 1.526 . . . . 0.0 109.803 -168.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -81.56 137.07 35.58 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 167.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -134.83 92.27 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 123.961 0.904 . . . . 0.0 109.45 -176.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.53 -175.26 31.18 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.389 0.519 . . . . 0.0 113.375 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.09 17.52 71.96 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.347 0.975 . . . . 0.0 114.24 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.25 151.28 92.22 Favored Pre-proline 0 CA--C 1.541 0.632 0 C-N-CA 125.118 1.367 . . . . 0.0 110.64 177.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.22 141.9 36.69 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 121.958 1.772 . . . . 0.0 108.47 168.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -62.87 -11.77 20.49 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 115.948 1.833 . . . . 0.0 115.948 -168.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -87.39 -3.1 59.01 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -66.73 133.97 51.27 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.018 1.327 . . . . 0.0 109.97 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.2 m -110.71 169.49 8.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.387 1.075 . . . . 0.0 111.816 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -56.11 -37.1 68.95 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.32 1.048 . . . . 0.0 112.92 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -71.85 -36.97 70.32 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 173.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.2 m -59.84 -42.04 92.71 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.079 1.352 . . . . 0.0 110.434 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.0 tp -73.19 -40.46 64.75 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.82 0.848 . . . . 0.0 112.441 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -61.36 -37.26 82.71 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.61 -0.682 . . . . 0.0 111.971 174.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -72.91 -13.29 61.23 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.927 1.291 . . . . 0.0 112.848 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -95.16 -40.72 9.45 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.913 0.779 . . . . 0.0 112.615 171.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -75.47 -14.11 60.41 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -7.24 37.76 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -76.95 -19.05 57.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.844 0.857 . . . . 0.0 113.032 170.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -93.44 -13.12 28.33 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.377 1.071 . . . . 0.0 113.08 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.55 -147.22 19.11 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 125.224 1.392 . . . . 0.0 112.856 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -87.55 121.5 30.07 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.888 0.875 . . . . 0.0 112.522 -169.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.6 mt -92.14 129.25 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.496 1.118 . . . . 0.0 109.898 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -83.27 -44.83 14.51 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.852 1.661 . . . . 0.0 110.454 174.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -164.15 151.05 11.61 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.398 1.879 . . . . 0.0 109.696 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.13 146.46 32.78 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.941 1.296 . . . . 0.0 111.099 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.9 m -151.99 160.8 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.988 1.715 . . . . 0.0 111.536 -174.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.5 t -130.06 134.57 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.434 1.494 . . . . 0.0 107.932 169.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.415 HG13 ' CE2' ' A' ' 78' ' ' TYR . 36.3 mm -80.89 111.42 17.56 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 C-N-CA 123.598 0.759 . . . . 0.0 111.38 -169.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.5 p -123.23 133.62 54.19 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.989 2.116 . . . . 0.0 108.907 171.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.03 141.08 47.04 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -173.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -55.14 -23.93 23.71 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 116.411 2.004 . . . . 0.0 116.411 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -135.65 -17.18 1.73 Allowed 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 -174.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.2 p -108.33 -16.25 14.28 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.553 1.141 . . . . 0.0 113.688 171.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 58.8 17.11 4.95 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.187 1.795 . . . . 0.0 113.409 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 132.43 46.87 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.194 0.997 . . . . 0.0 110.911 176.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.2 m -78.32 125.99 30.15 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.279 1.032 . . . . 0.0 110.793 -177.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.4 mtt-85 -82.82 -0.12 46.52 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.16 4.76 83.78 Favored Glycine 0 N--CA 1.474 1.202 0 C-N-CA 124.893 1.235 . . . . 0.0 114.194 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CE2' HG13 ' A' ' 67' ' ' ILE . 23.9 p90 -143.21 160.68 40.0 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.76 -169.92 12.21 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 127.289 2.376 . . . . 0.0 112.371 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -137.11 150.1 47.77 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.465 1.506 . . . . 0.0 111.259 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.48 132.55 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 125.43 1.492 . . . . 0.0 108.402 172.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.6 m -113.98 133.03 55.75 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 172.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.0 mmm -103.24 148.17 26.14 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.502 1.121 . . . . 0.0 110.824 -177.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -70.17 -16.03 63.03 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -154.89 152.01 29.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.247 1.419 . . . . 0.0 111.55 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 53.3 mtt85 -55.68 -33.01 63.75 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.21 1.404 . . . . 0.0 112.231 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.59 -18.66 64.37 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.539 1.136 . . . . 0.0 113.818 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.2 m -91.47 -29.91 16.76 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.039 -1.038 . . . . 0.0 112.169 171.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.87 -34.37 60.02 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.122 -0.986 . . . . 0.0 113.266 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.38 -38.15 90.04 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.626 0.648 . . . . 0.0 112.458 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -67.82 -26.97 66.33 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.667 1.187 . . . . 0.0 112.592 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.44 -51.0 11.51 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.784 0.834 . . . . 0.0 111.75 173.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.5 p -67.35 -19.21 65.41 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -64.33 -13.92 53.13 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 170.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -122.04 92.89 48.81 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 124.848 1.259 . . . . 0.0 109.695 169.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -75.98 -22.1 13.46 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.338 2.692 . . . . 0.0 113.146 -173.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -132.97 75.08 72.91 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.501 1.12 . . . . 0.0 112.003 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -81.1 -12.84 11.64 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 124.291 3.327 . . . . 0.0 116.191 -172.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 65.08 56.21 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 125.836 1.655 . . . . 0.0 111.401 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.66 119.2 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.104 -0.998 . . . . 0.0 110.276 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.48 19.07 6.19 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.641 1.976 . . . . 0.0 114.704 175.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.21 34.88 4.66 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.969 1.271 . . . . 0.0 115.515 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -152.66 142.27 21.84 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 118.755 1.277 . . . . 0.0 110.49 171.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -65.77 99.54 0.47 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.82 0.819 . . . . 0.0 112.072 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.94 169.09 18.75 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.739 1.216 . . . . 0.0 111.437 178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -139.6 96.32 3.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.352 1.861 . . . . 0.0 108.815 -172.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 80.2 t -100.51 124.7 54.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.279 1.432 . . . . 0.0 109.354 -172.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -156.9 149.85 23.79 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.74 0.816 . . . . 0.0 113.0 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.8 mt -64.43 118.76 9.22 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.693 0.797 . . . . 0.0 108.918 170.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -24.33 -72.36 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.177 0 N-CA-C 117.449 2.388 . . . . 0.0 117.449 -169.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -34.37 0.53 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.827 1 N-CA-C 123.73 4.715 . . . . 0.0 123.73 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.2 mt -83.53 -65.96 0.95 Allowed 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 124.921 3.509 . . . . 0.0 111.451 -169.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -91.51 15.77 60.63 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.689 1.614 . . . . 0.0 113.037 170.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.94 124.54 21.35 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.106 1.363 . . . . 0.0 112.592 -175.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -92.93 145.86 30.95 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 125.343 1.457 . . . . 0.0 112.708 -176.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -75.54 142.31 26.13 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.168 2.579 . . . . 0.0 110.908 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -143.08 123.27 13.72 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.445 1.498 . . . . 0.0 109.786 173.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.5 p -80.24 -5.96 57.04 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.518 1.527 . . . . 0.0 113.923 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -70.24 -14.0 62.42 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 -174.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 57.6 t -142.05 125.91 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 126.382 1.873 . . . . 0.0 108.133 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 . . . . . 0 C--O 1.254 1.295 0 C-N-CA 125.821 1.648 . . . . 0.0 111.511 -172.766 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 1 C3'-C2'-C1' 105.462 4.402 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.248 0 P-O3'-C3' 123.393 3.078 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 O4'-C1'-N19 112.032 3.832 . 0.196 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.229 0 O4'-C1'-N19 111.293 3.093 . 0.671 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.586 0 C3'-C2'-C1' 104.464 3.293 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 O4'-C1'-N19 110.805 2.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.577 0 N-CA-C 111.884 -0.486 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -162.73 167.63 22.73 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.385 1.474 . . . . 0.0 111.116 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.4 m -69.02 126.6 30.31 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.207 1.403 . . . . 0.0 110.595 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -162.4 146.06 11.7 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.531 1.533 . . . . 0.0 111.103 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.65 115.48 10.89 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.013 0.925 . . . . 0.0 110.897 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -164.35 137.61 4.04 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 125.566 1.546 . . . . 0.0 109.413 -175.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -61.75 18.03 0.05 OUTLIER 'Trans proline' 0 CA--C 1.547 1.175 0 C-N-CA 125.067 3.845 . . . . 0.0 117.651 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t 55.29 40.27 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 125.691 1.596 . . . . 0.0 111.055 -176.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.26 20.3 m 54.53 12.85 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 128.704 2.802 . . . . 0.0 115.39 -172.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.52 -7.82 85.73 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.299 1.428 . . . . 0.0 114.822 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.4 m -144.92 135.78 24.7 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.433 1.493 . . . . 0.0 110.786 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 -163.93 145.47 8.95 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.243 1.817 . . . . 0.0 110.147 -175.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -157.49 158.56 35.96 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.354 1.462 . . . . 0.0 111.573 -174.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.6 p -61.47 -23.88 66.18 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 126.584 1.954 . . . . 0.0 113.396 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 57.4 ttm -53.79 -21.45 7.44 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.504 1.122 . . . . 0.0 113.177 169.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -116.85 0.81 12.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.311 1.444 . . . . 0.0 113.956 -176.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 74.2 p -140.28 -23.17 0.82 Allowed 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 115.054 1.502 . . . . 0.0 115.054 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -89.75 125.69 35.39 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.659 1.184 . . . . 0.0 110.712 176.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.1 mt -121.5 120.52 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 C-N-CA 126.139 1.776 . . . . 0.0 108.724 -170.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -80.55 137.7 36.43 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.136 1.374 . . . . 0.0 108.723 169.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.6 t -137.98 93.75 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.063 0.945 . . . . 0.0 109.633 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.401 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -104.2 -175.42 25.36 Favored Glycine 0 N--CA 1.47 0.921 0 C-N-CA 123.212 0.434 . . . . 0.0 113.612 175.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.71 17.36 73.0 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 123.96 0.79 . . . . 0.0 113.604 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.07 146.6 90.16 Favored Pre-proline 0 CA--C 1.541 0.628 0 C-N-CA 124.87 1.268 . . . . 0.0 110.344 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.14 142.81 42.76 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.23 1.953 . . . . 0.0 109.023 169.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -62.41 -11.98 18.89 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 -169.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -89.75 -0.66 57.68 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 125.446 1.498 . . . . 0.0 114.807 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.5 m -67.84 137.54 55.4 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.166 1.387 . . . . 0.0 109.734 173.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 68.0 p -111.56 169.43 8.82 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.965 0.906 . . . . 0.0 112.308 171.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -58.72 -29.38 66.65 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.37 -0.831 . . . . 0.0 112.702 171.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -72.0 -45.85 59.42 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.888 0.875 . . . . 0.0 111.268 171.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.2 m -56.0 -44.43 78.62 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.814 1.246 . . . . 0.0 110.939 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.8 tp -73.7 -39.51 64.3 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.736 0.815 . . . . 0.0 112.577 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -60.38 -38.93 85.47 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.551 -0.718 . . . . 0.0 111.463 172.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -71.91 -16.03 62.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.299 1.04 . . . . 0.0 113.253 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -87.39 -42.25 12.98 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.252 0.933 . . . . 0.0 112.101 169.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -79.6 -17.56 53.6 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -174.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -8.28 45.44 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -72.0 -20.08 61.77 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.565 0.746 . . . . 0.0 112.791 170.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -92.82 -13.6 28.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.871 1.268 . . . . 0.0 112.848 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.94 -166.43 24.35 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.697 1.618 . . . . 0.0 112.659 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.39 136.78 56.93 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.882 1.273 . . . . 0.0 113.829 -174.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.9 mt -109.96 130.92 62.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.919 1.688 . . . . 0.0 109.711 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -72.53 -49.21 34.39 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.033 1.333 . . . . 0.0 110.964 170.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -166.14 147.82 6.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.675 1.99 . . . . 0.0 109.268 -173.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.32 148.89 46.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.37 1.468 . . . . 0.0 110.229 174.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.5 m -149.35 158.21 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 125.368 1.467 . . . . 0.0 111.097 -177.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 80.9 t -128.21 138.28 55.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.527 1.531 . . . . 0.0 107.175 168.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 16.1 mm -85.26 92.94 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 C-N-CA 124.07 0.948 . . . . 0.0 108.934 -171.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 p -122.31 117.01 25.08 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 129.971 3.308 . . . . 0.0 108.2 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -39.37 134.32 1.22 Allowed 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 -165.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -56.14 -24.82 43.39 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -106.25 -43.22 4.85 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.994 1.717 . . . . 0.0 112.593 -173.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.3 p -114.66 -11.28 12.36 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 125.347 1.459 . . . . 0.0 114.723 -172.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 60.61 15.94 6.14 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.503 1.921 . . . . 0.0 113.425 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 135.46 46.53 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.054 -1.029 . . . . 0.0 110.589 173.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.7 t -78.28 143.01 37.39 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.082 -1.011 . . . . 0.0 112.923 -175.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.4 mtt85 -93.16 1.37 57.17 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.309 1.444 . . . . 0.0 113.096 172.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.15 10.91 70.64 Favored Glycine 0 N--CA 1.474 1.231 0 C-N-CA 124.895 1.236 . . . . 0.0 114.664 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.401 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 15.9 p90 -150.75 168.67 23.7 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 -178.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -154.63 -171.56 21.58 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 127.767 2.603 . . . . 0.0 112.493 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -139.05 150.68 46.04 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.817 1.647 . . . . 0.0 111.099 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.51 132.14 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.307 1.443 . . . . 0.0 108.468 171.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.1 m -115.26 128.12 55.93 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.643 0.777 . . . . 0.0 109.008 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 74.7 mmm -94.51 145.19 24.97 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.472 1.109 . . . . 0.0 110.993 -175.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -66.65 -24.72 66.33 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -138.97 149.37 44.65 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.51 1.124 . . . . 0.0 112.681 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -59.1 -32.69 70.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.711 1.205 . . . . 0.0 112.314 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.32 90.6 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.09 0.859 . . . . 0.0 112.119 175.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 m -69.33 -31.05 69.26 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.184 -0.947 . . . . 0.0 112.396 176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.37 -38.74 63.1 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.489 -0.757 . . . . 0.0 112.704 172.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -61.22 -39.69 91.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.57 0.748 . . . . 0.0 111.5 171.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -65.91 -32.43 73.93 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.937 0.895 . . . . 0.0 112.602 173.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.2 -33.17 59.28 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.6 p -76.66 -5.2 46.9 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -62.09 -25.63 67.81 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -124.38 108.18 29.47 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.246 1.418 . . . . 0.0 109.615 172.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -79.21 -14.61 13.22 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.073 2.515 . . . . 0.0 113.209 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -138.14 72.79 45.77 Favored Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 124.901 1.28 . . . . 0.0 111.362 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.04 -10.16 15.28 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 124.369 3.38 . . . . 0.0 116.385 -169.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.3 mm 65.43 55.59 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 125.442 1.497 . . . . 0.0 111.285 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.7 mt -67.24 120.65 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.437 1.095 . . . . 0.0 110.365 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.66 22.87 8.77 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.755 2.022 . . . . 0.0 114.223 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.6 26.44 9.91 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.693 1.14 . . . . 0.0 115.46 172.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -148.4 138.28 22.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.047 1.424 . . . . 0.0 110.382 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -63.85 104.64 0.71 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.605 0.762 . . . . 0.0 112.612 -173.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.12 171.76 13.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.56 1.144 . . . . 0.0 111.325 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -136.55 112.77 9.82 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.382 1.873 . . . . 0.0 108.808 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 84.2 t -115.13 127.56 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.517 1.527 . . . . 0.0 110.27 -171.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -165.85 155.49 12.25 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.594 1.158 . . . . 0.0 113.014 171.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.3 mt -53.78 137.05 39.0 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 167.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -38.88 -84.43 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.283 0 N-CA-C 116.631 2.085 . . . . 0.0 116.631 -169.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -24.88 1.67 0.0 OUTLIER 'General case' 0 CA--C 1.577 1.981 1 N-CA-C 125.114 5.228 . . . . 0.0 125.114 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 mt -87.16 -74.3 0.44 Allowed 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 124.939 3.518 . . . . 0.0 112.182 -169.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.44 10.98 64.84 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 125.402 1.477 . . . . 0.0 112.679 171.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.23 148.45 44.75 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.578 1.551 . . . . 0.0 112.65 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -106.98 154.06 40.54 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 125.887 1.675 . . . . 0.0 112.107 -173.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -69.63 130.46 19.55 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.14 2.56 . . . . 0.0 109.326 173.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -164.3 130.78 3.05 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 124.644 1.177 . . . . 0.0 109.671 -169.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.0 t -162.4 156.08 20.81 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.195 1.398 . . . . 0.0 111.179 177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -128.59 15.75 6.5 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.942 1.697 . . . . 0.0 111.588 169.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 23.2 m -144.5 156.43 14.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 125.68 1.592 . . . . 0.0 111.902 -172.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.231 1.812 . . . . 0.0 111.42 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.834 1 C3'-C2'-C1' 105.276 4.196 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.232 0 P-O3'-C3' 123.49 3.159 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 111.877 3.677 . 0.195 '#a' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.462 0 O4'-C1'-N19 111.452 3.252 . 0.543 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 1 C3'-C2'-C1' 106.004 5.004 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.448 0 O4'-C1'-N19 110.937 2.737 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 111.906 -0.478 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.4 p -80.83 -18.86 46.08 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -176.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.6 m -137.15 -50.54 0.64 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.995 1.718 . . . . 0.0 110.587 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -74.28 130.88 40.55 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.775 0.83 . . . . 0.0 111.422 174.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.98 159.03 26.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.969 1.708 . . . . 0.0 111.354 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -145.97 148.63 36.29 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 125.943 1.697 . . . . 0.0 110.113 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -79.01 -15.1 13.23 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 123.467 2.778 . . . . 0.0 114.407 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t 73.93 123.14 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 127.799 2.439 . . . . 0.0 111.594 -178.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.3 t -139.9 128.22 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.645 1.578 . . . . 0.0 108.436 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.98 -150.11 22.13 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.044 1.306 . . . . 0.0 112.646 -175.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.9 p -83.67 -7.53 59.47 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -176.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -68.41 132.26 46.71 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.121 0.968 . . . . 0.0 111.655 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -160.89 164.75 31.01 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.282 1.833 . . . . 0.0 110.617 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.2 p 67.79 -28.98 0.15 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 129.165 2.986 . . . . 0.0 114.442 -173.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.5 mtp -57.14 -15.07 4.75 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.448 1.499 . . . . 0.0 113.544 172.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -120.44 6.65 10.61 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.977 1.711 . . . . 0.0 113.019 -173.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.4 p -143.31 -25.31 0.59 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.393 1.477 . . . . 0.0 114.192 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -84.9 123.74 30.84 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.705 1.202 . . . . 0.0 110.333 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 22.4 mt -122.52 120.35 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 126.159 1.783 . . . . 0.0 108.881 -171.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -84.3 134.48 34.51 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.087 1.355 . . . . 0.0 107.772 168.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.6 t -135.88 92.68 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.919 0.888 . . . . 0.0 109.394 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -105.29 -175.42 24.27 Favored Glycine 0 N--CA 1.468 0.773 0 C-N-CA 123.239 0.447 . . . . 0.0 113.757 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.4 24.1 76.99 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 123.438 0.542 . . . . 0.0 113.393 -172.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.6 mt -78.99 152.41 76.95 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 125.181 1.392 . . . . 0.0 109.837 171.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -76.08 154.9 37.84 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 122.277 1.985 . . . . 0.0 109.847 169.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -68.34 -5.14 17.17 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -172.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -97.54 -3.77 39.11 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.6 m -68.72 142.49 54.98 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.291 1.437 . . . . 0.0 110.571 176.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -116.76 169.66 9.2 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.471 1.109 . . . . 0.0 112.524 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -57.46 -41.69 81.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.746 1.219 . . . . 0.0 112.61 -175.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -71.58 -34.39 69.9 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.525 0.73 . . . . 0.0 112.765 175.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.1 m -57.18 -39.14 74.75 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.585 1.154 . . . . 0.0 110.96 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.0 tp -77.29 -40.01 45.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.652 0.781 . . . . 0.0 112.809 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.44 -39.59 80.26 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.693 -0.63 . . . . 0.0 111.777 173.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -74.43 -11.71 60.31 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.426 1.49 . . . . 0.0 112.932 -178.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -92.76 -42.42 9.59 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.082 0.855 . . . . 0.0 112.028 169.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -77.29 -15.61 59.35 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -6.4 30.58 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 178.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -74.9 -19.4 60.16 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.491 -0.755 . . . . 0.0 112.79 169.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -94.0 -15.31 24.98 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.679 1.191 . . . . 0.0 113.081 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.23 -145.68 15.77 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 124.876 1.226 . . . . 0.0 112.773 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -93.17 134.87 34.9 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.285 1.034 . . . . 0.0 112.558 -169.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -111.25 128.95 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.179 1.392 . . . . 0.0 110.243 -175.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -71.75 -49.39 39.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.902 1.281 . . . . 0.0 111.041 169.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -165.59 147.59 7.44 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.71 2.004 . . . . 0.0 108.902 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.35 143.37 29.05 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.015 1.326 . . . . 0.0 110.659 176.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.9 m -150.85 159.68 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.244 1.418 . . . . 0.0 111.615 -171.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.7 t -125.35 131.06 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.952 1.701 . . . . 0.0 108.011 169.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.421 HG13 ' CE2' ' A' ' 78' ' ' TYR . 46.9 mm -76.73 116.92 20.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.954 0.902 . . . . 0.0 111.025 -169.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.7 p -125.25 141.64 51.97 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 127.078 2.151 . . . . 0.0 109.008 175.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -64.45 138.17 58.27 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 -169.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.1 ptt85 -56.69 -24.02 46.05 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 -177.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -110.98 -47.99 3.16 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.985 1.714 . . . . 0.0 112.211 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.4 p -101.01 -14.58 17.78 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.697 1.199 . . . . 0.0 113.969 -169.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 59.98 10.55 2.23 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.668 1.987 . . . . 0.0 114.145 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.57 141.44 51.82 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.009 -1.057 . . . . 0.0 110.537 173.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.1 t -71.71 143.93 49.48 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.364 -0.835 . . . . 0.0 112.395 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -89.02 -2.75 58.73 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.416 1.486 . . . . 0.0 113.767 173.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.82 14.22 80.0 Favored Glycine 0 N--CA 1.474 1.169 0 C-N-CA 123.955 0.788 . . . . 0.0 114.045 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.421 ' CE2' HG13 ' A' ' 67' ' ' ILE . 14.2 p90 -150.45 163.16 39.09 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.109 1.364 . . . . 0.0 113.644 176.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -141.08 -175.34 14.69 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 126.661 2.077 . . . . 0.0 112.955 174.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -130.46 147.35 52.15 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 125.948 1.699 . . . . 0.0 110.623 174.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.8 t -137.44 130.23 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.659 1.584 . . . . 0.0 108.19 174.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -117.45 126.27 52.34 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.559 0.744 . . . . 0.0 109.048 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 76.8 mmm -94.16 145.45 24.69 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.467 1.107 . . . . 0.0 111.313 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -67.86 -21.02 65.19 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -150.07 151.09 32.67 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 125.367 1.467 . . . . 0.0 110.925 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -55.5 -32.14 62.61 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.56 1.144 . . . . 0.0 112.069 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.55 -22.67 66.15 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.0 m -85.48 -29.26 24.43 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.422 -0.798 . . . . 0.0 112.001 173.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.12 -37.94 57.44 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.109 -0.994 . . . . 0.0 112.488 173.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.33 -30.71 69.7 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.238 1.015 . . . . 0.0 112.172 171.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -75.07 -26.92 59.71 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 173.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.5 -25.35 45.63 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.5 p -77.31 -2.85 36.94 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -64.27 -24.93 67.83 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.165 1.386 . . . . 0.0 114.69 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -129.64 107.15 17.11 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.036 1.335 . . . . 0.0 110.156 171.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.84 -18.0 11.92 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.198 2.599 . . . . 0.0 112.971 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -134.57 68.34 72.22 Favored Pre-proline 0 CA--C 1.554 1.12 0 C-N-CA 125.388 1.475 . . . . 0.0 111.653 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.52 -8.98 16.14 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 124.474 3.449 . . . . 0.0 116.93 -169.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 63.79 56.92 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 125.625 1.57 . . . . 0.0 111.178 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 57.0 mt -72.74 123.53 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.022 -1.049 . . . . 0.0 109.359 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.7 t0 65.38 12.89 8.45 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.96 1.704 . . . . 0.0 113.857 172.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.41 39.22 4.27 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.458 1.504 . . . . 0.0 114.918 175.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -155.09 141.53 18.71 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.024 1.329 . . . . 0.0 109.069 174.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -64.42 101.53 0.45 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.3 0.571 . . . . 0.0 111.662 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.35 175.2 10.47 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.45 1.1 . . . . 0.0 111.184 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -150.04 99.22 2.8 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.962 1.705 . . . . 0.0 108.468 -171.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.4 t -106.84 124.37 62.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.447 1.499 . . . . 0.0 110.007 -169.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -163.25 155.23 17.81 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.258 1.023 . . . . 0.0 113.334 175.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 74.4 mt -54.93 144.83 21.75 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.629 0.772 . . . . 0.0 109.678 169.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -45.8 -86.69 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.342 0 N-CA-C 116.482 2.031 . . . . 0.0 116.482 -171.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -27.09 3.64 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.029 1 N-CA-C 124.523 5.009 . . . . 0.0 124.523 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.5 mt -89.26 -74.23 0.48 Allowed 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 124.755 3.434 . . . . 0.0 112.223 -169.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.03 11.89 61.44 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.439 1.495 . . . . 0.0 112.837 172.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.39 133.52 56.17 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.407 1.483 . . . . 0.0 111.782 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.96 150.43 45.37 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 124.663 1.185 . . . . 0.0 112.47 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -76.37 143.05 24.49 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.463 2.775 . . . . 0.0 111.016 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.93 17.29 0.15 Allowed 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.7 m -81.62 96.0 7.36 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.143 1.377 . . . . 0.0 109.719 -174.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -85.9 -6.53 59.06 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -172.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.4 p -161.6 137.41 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.637 1.975 . . . . 0.0 109.748 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.543 1.937 . . . . 0.0 112.394 -174.43 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 1 C3'-C2'-C1' 105.795 4.773 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.21 0 O4'-C1'-N19 111.819 3.619 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.083 0 C5'-C4'-C3' 109.938 -3.708 . 0.583 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.543 0 O5'-C5'-C4' 113.952 2.68 . 0.526 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.219 0 C5'-C4'-C3' 111.082 -2.945 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.793 0 C3'-C2'-C1' 103.895 2.661 . 0.1 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.5 p -85.35 -10.76 55.92 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.8 t -163.8 177.01 8.98 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.891 2.076 . . . . 0.0 110.48 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -65.58 155.55 35.43 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.976 1.31 . . . . 0.0 113.429 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.26 171.84 18.44 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.801 1.64 . . . . 0.0 111.618 -176.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -138.98 147.47 53.97 Favored Pre-proline 0 CA--C 1.545 0.768 0 C-N-CA 125.852 1.661 . . . . 0.0 110.135 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.36 141.53 32.01 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.354 2.702 . . . . 0.0 111.855 -175.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.8 m -148.33 153.32 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 126.625 1.97 . . . . 0.0 109.515 176.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -143.03 160.09 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 125.267 1.427 . . . . 0.0 110.938 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.05 99.78 0.8 Allowed Glycine 0 CA--C 1.528 0.886 0 C-N-CA 124.211 0.91 . . . . 0.0 112.362 -177.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.9 p -169.02 -39.24 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.593 1.557 . . . . 0.0 112.447 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -68.89 129.43 39.93 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.507 1.123 . . . . 0.0 111.373 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -66.25 140.86 58.17 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.792 1.237 . . . . 0.0 112.226 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.9 p 67.05 -27.21 0.12 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 129.373 3.069 . . . . 0.0 115.528 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 48.9 ttm -55.67 -23.73 30.05 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.313 1.445 . . . . 0.0 114.425 -173.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -123.56 11.18 9.18 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.854 1.262 . . . . 0.0 113.683 -176.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.0 p -135.64 -25.06 1.31 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.173 1.389 . . . . 0.0 113.81 -177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -89.46 130.6 35.78 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.864 1.666 . . . . 0.0 110.879 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.9 mt -128.49 118.75 48.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 126.461 1.904 . . . . 0.0 108.706 -170.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -84.03 134.4 34.63 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.711 1.204 . . . . 0.0 107.883 168.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.8 t -135.95 92.9 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.873 0.869 . . . . 0.0 109.685 -173.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.463 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -103.99 -175.02 25.57 Favored Glycine 0 N--CA 1.47 0.907 0 C-N-CA 123.393 0.52 . . . . 0.0 114.002 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.71 15.0 73.18 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 123.808 0.718 . . . . 0.0 113.908 -174.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 98.2 mt -70.92 145.86 92.29 Favored Pre-proline 0 C--O 1.241 0.619 0 C-N-CA 124.923 1.289 . . . . 0.0 110.149 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.07 143.24 35.73 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 122.233 1.956 . . . . 0.0 108.991 169.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -60.3 -17.12 40.39 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -169.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -82.58 -3.01 55.39 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.8 m -67.66 126.52 29.64 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.921 1.288 . . . . 0.0 109.575 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.6 p -94.64 166.64 11.92 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 121.999 0.904 . . . . 0.0 112.571 173.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -53.87 -36.73 62.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.002 1.321 . . . . 0.0 111.937 173.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -82.29 -29.79 30.95 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.241 1.016 . . . . 0.0 112.809 177.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.8 m -62.36 -43.24 99.28 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.869 0.868 . . . . 0.0 110.139 173.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.49 -39.94 81.12 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.137 0.575 . . . . 0.0 112.28 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -58.76 -38.83 79.32 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 121.716 -0.615 . . . . 0.0 111.711 173.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -75.75 -10.66 59.62 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.747 1.219 . . . . 0.0 113.519 -178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -92.14 -41.13 10.64 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.224 0.92 . . . . 0.0 111.93 168.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -78.86 -14.11 59.42 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -174.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -8.65 49.33 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -73.99 -18.26 60.88 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.858 0.863 . . . . 0.0 112.938 170.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -94.64 -10.75 30.89 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.698 1.199 . . . . 0.0 113.16 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.66 -160.54 23.82 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.631 1.586 . . . . 0.0 112.73 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -72.28 125.01 26.27 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.593 1.157 . . . . 0.0 112.757 -172.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 88.8 mt -92.61 127.07 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.54 1.136 . . . . 0.0 109.858 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -85.07 -34.87 22.15 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.232 1.813 . . . . 0.0 111.663 176.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -164.81 147.7 8.54 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.864 2.066 . . . . 0.0 108.903 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.81 133.82 15.98 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.213 1.005 . . . . 0.0 110.536 172.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.2 m -151.11 158.92 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.272 1.429 . . . . 0.0 111.633 -172.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.0 t -121.95 133.46 68.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.093 1.757 . . . . 0.0 108.219 170.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.454 HG13 ' CE2' ' A' ' 78' ' ' TYR . 36.9 mm -75.75 127.92 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.634 0.774 . . . . 0.0 110.479 -173.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.0 p -140.42 141.72 35.49 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.635 1.974 . . . . 0.0 109.816 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.31 138.25 57.69 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -176.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -61.31 -17.78 55.38 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 -175.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -125.26 -22.97 4.25 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -176.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.1 p -116.38 -16.03 10.9 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.273 1.429 . . . . 0.0 114.086 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 59.46 20.36 8.76 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.078 1.751 . . . . 0.0 113.249 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.97 137.95 49.56 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.165 -0.96 . . . . 0.0 110.314 175.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.8 m -75.58 141.72 42.85 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.85 0.86 . . . . 0.0 113.06 -172.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -90.96 -2.9 57.66 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.16 3.5 87.35 Favored Glycine 0 N--CA 1.475 1.268 0 C-N-CA 124.739 1.161 . . . . 0.0 114.331 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.463 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 15.2 p90 -149.4 163.46 37.7 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.257 1.423 . . . . 0.0 113.897 178.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.53 -173.79 13.6 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 126.649 2.071 . . . . 0.0 112.873 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -130.11 145.61 51.71 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 125.983 1.713 . . . . 0.0 110.624 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -135.89 136.62 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 125.432 1.493 . . . . 0.0 108.306 173.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.2 m -124.62 134.9 52.77 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.805 1.242 . . . . 0.0 108.291 176.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 87.4 mmm -106.88 139.82 40.68 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.452 1.101 . . . . 0.0 110.952 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -66.26 -19.3 65.78 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -175.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -137.41 149.37 46.87 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.33 1.452 . . . . 0.0 111.349 172.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -55.07 -39.77 69.64 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.369 1.068 . . . . 0.0 112.246 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.4 -25.4 65.03 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.565 -0.709 . . . . 0.0 112.573 -176.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 51.1 m -75.4 -29.57 59.83 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.151 -0.968 . . . . 0.0 112.254 174.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.46 -35.4 60.89 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.316 -0.865 . . . . 0.0 111.893 169.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.33 -42.91 96.63 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.224 0.609 . . . . 0.0 111.336 169.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -63.68 -34.37 77.7 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.748 0.819 . . . . 0.0 112.736 172.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.7 -35.1 67.56 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.6 p -77.13 -4.84 46.55 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -62.31 -26.15 68.26 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -124.98 107.22 28.42 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 125.337 1.455 . . . . 0.0 109.839 173.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -78.44 -15.54 13.97 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 123.056 2.504 . . . . 0.0 113.188 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -135.54 72.5 64.0 Favored Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 124.912 1.285 . . . . 0.0 112.111 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.43 -11.83 14.25 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 124.33 3.354 . . . . 0.0 116.491 -171.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.9 mm 63.96 56.54 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 125.678 1.591 . . . . 0.0 111.297 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 56.3 mt -69.23 118.15 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 121.035 -1.041 . . . . 0.0 110.062 -175.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 58.48 21.75 8.85 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.543 1.937 . . . . 0.0 114.641 175.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.84 32.72 5.53 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 124.749 1.166 . . . . 0.0 115.787 171.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.3 ttt85 -152.42 141.98 21.76 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 118.738 1.269 . . . . 0.0 109.936 171.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.32 101.62 0.45 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.595 0.712 . . . . 0.0 111.971 -177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.69 166.97 22.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.491 1.116 . . . . 0.0 111.012 175.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -135.99 102.56 5.08 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.189 1.796 . . . . 0.0 108.223 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.6 t -107.62 125.86 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.378 1.471 . . . . 0.0 110.039 -170.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -163.89 155.7 16.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.328 1.051 . . . . 0.0 113.162 174.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.7 mt -54.27 141.24 30.43 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.438 0.695 . . . . 0.0 109.4 168.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -41.53 -82.94 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.363 0 N-CA-C 116.305 1.965 . . . . 0.0 116.305 -174.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -29.01 2.54 0.0 OUTLIER 'General case' 0 CA--C 1.577 1.999 1 N-CA-C 124.683 5.068 . . . . 0.0 124.683 -178.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.3 mt -87.37 -71.63 0.55 Allowed 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 124.818 3.463 . . . . 0.0 112.041 -169.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.87 12.92 62.36 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.361 1.458 . . . . 0.0 112.586 170.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.18 144.65 54.87 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.135 1.374 . . . . 0.0 113.076 -174.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -85.61 160.21 53.88 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 126.022 1.729 . . . . 0.0 112.399 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.74 139.07 49.66 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 124.107 3.205 . . . . 0.0 111.828 169.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -155.81 125.43 6.37 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.227 1.011 . . . . 0.0 110.658 -173.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 41.1 p -144.84 172.42 13.04 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 127.14 2.176 . . . . 0.0 110.661 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -139.33 152.31 47.09 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 125.68 1.592 . . . . 0.0 111.224 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 98.3 t -72.65 129.46 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.369 1.068 . . . . 0.0 110.001 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.065 1.746 . . . . 0.0 111.81 -177.446 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.652 1 O4'-C1'-N19 114.654 6.454 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.103 1 O4'-C1'-N19 112.72 4.52 . 0.22 5q . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.359 0 C3'-C2'-C1' 104.259 3.066 . 0.617 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 O4'-C1'-N19 110.972 2.772 . 0.601 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.928 2 C3'-C2'-C1' 106.139 5.154 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C3'-C2'-C1' 104.344 3.16 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.578 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 t -162.86 164.38 26.04 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.444 1.498 . . . . 0.0 111.206 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.9 p -144.97 159.77 42.4 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.426 1.89 . . . . 0.0 111.161 -173.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -157.82 146.44 19.24 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.178 1.391 . . . . 0.0 111.459 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -166.49 -38.98 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.211 1.804 . . . . 0.0 112.453 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -143.28 151.14 54.25 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 126.706 2.002 . . . . 0.0 109.288 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -66.72 133.59 32.26 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.513 2.808 . . . . 0.0 111.104 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.1 m -96.13 1.98 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -169.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 p -166.33 140.91 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.028 1.331 . . . . 0.0 111.202 -174.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.31 3.37 70.32 Favored Glycine 0 N--CA 1.473 1.162 0 C-N-CA 124.75 1.167 . . . . 0.0 115.509 171.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 p -87.15 -38.61 16.27 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.988 1.315 . . . . 0.0 114.012 -170.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -146.7 142.81 28.22 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.513 1.925 . . . . 0.0 110.102 178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -93.46 -0.34 56.47 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.851 1.26 . . . . 0.0 114.166 -175.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.5 p -142.77 -46.93 0.32 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.114 1.765 . . . . 0.0 113.075 -173.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 53.8 ttm -53.69 -25.22 17.3 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -174.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -120.39 10.96 11.34 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.099 1.36 . . . . 0.0 113.642 -176.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.9 p -134.51 -27.31 1.35 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.444 1.498 . . . . 0.0 113.59 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HE2' ' CE1' ' A' ' 80' ' ' PHE . 88.4 tttt -88.51 130.11 35.3 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.982 1.713 . . . . 0.0 110.704 176.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.5 mt -127.19 119.79 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 126.25 1.82 . . . . 0.0 108.797 -170.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -83.87 137.32 33.74 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.88 1.272 . . . . 0.0 108.189 168.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.7 t -136.71 92.88 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.971 0.909 . . . . 0.0 109.609 -176.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.1 -174.72 26.47 Favored Glycine 0 N--CA 1.469 0.877 0 C-N-CA 123.136 0.398 . . . . 0.0 113.604 176.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.17 16.44 75.14 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 123.767 0.699 . . . . 0.0 114.182 -174.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -74.33 150.42 87.29 Favored Pre-proline 0 C--O 1.241 0.623 0 C-N-CA 125.44 1.496 . . . . 0.0 110.44 175.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.21 152.22 44.7 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 122.302 2.001 . . . . 0.0 109.494 169.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-30 -66.87 -9.01 33.21 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 -171.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -93.33 -4.14 52.18 Favored 'General case' 0 CA--C 1.554 1.113 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m -67.81 140.22 56.62 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.006 1.322 . . . . 0.0 110.265 175.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 73.1 m -115.8 168.91 9.63 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.42 1.088 . . . . 0.0 112.187 177.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -57.15 -36.18 70.42 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.402 1.081 . . . . 0.0 113.149 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -70.37 -39.91 74.33 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.285 0.634 . . . . 0.0 111.83 173.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -59.08 -43.36 91.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.2 1.4 . . . . 0.0 110.692 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.5 tp -74.45 -37.35 63.29 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -59.07 -41.16 87.29 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.592 0.633 . . . . 0.0 111.413 173.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -66.4 -34.03 77.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.003 0.921 . . . . 0.0 112.74 -176.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -72.26 -30.33 64.74 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.367 -0.833 . . . . 0.0 113.126 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -86.43 -7.21 58.62 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -173.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -65.92 -18.99 65.71 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.373 0.988 . . . . 0.0 113.035 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -72.41 -15.68 61.84 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.359 1.063 . . . . 0.0 113.55 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -98.61 -12.82 20.75 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.466 1.106 . . . . 0.0 113.17 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 132.7 -156.96 22.36 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.509 1.528 . . . . 0.0 113.06 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -75.31 126.98 32.12 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.059 1.344 . . . . 0.0 112.687 -172.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 55.5 mt -99.9 126.94 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.933 1.293 . . . . 0.0 109.592 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -81.62 -44.37 17.31 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.933 1.693 . . . . 0.0 110.597 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -164.94 151.97 10.9 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.538 1.935 . . . . 0.0 109.318 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.7 143.88 26.74 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.769 1.228 . . . . 0.0 110.884 175.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 m -151.63 157.48 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.784 1.633 . . . . 0.0 111.317 -173.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 88.2 t -126.51 132.86 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.219 1.407 . . . . 0.0 107.519 169.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.9 mm -80.19 109.83 15.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 C-N-CA 123.782 0.833 . . . . 0.0 111.026 -169.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.0 p -124.98 140.14 53.18 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.999 2.12 . . . . 0.0 109.451 177.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.49 142.26 58.01 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -170.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -58.59 -22.58 56.47 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -131.26 -21.71 2.58 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -172.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.0 p -111.51 -17.14 13.14 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.419 1.488 . . . . 0.0 113.696 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 60.4 11.81 3.13 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.313 1.845 . . . . 0.0 113.987 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.81 136.94 49.1 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.918 -1.113 . . . . 0.0 110.57 174.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.9 t -73.43 144.69 46.23 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.396 -0.815 . . . . 0.0 111.755 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -90.5 3.62 53.43 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 170.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.0 14.91 68.42 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 124.257 0.932 . . . . 0.0 114.321 176.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -149.94 163.09 39.0 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.099 1.36 . . . . 0.0 114.094 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.58 -172.15 14.95 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 127.053 2.263 . . . . 0.0 112.794 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CE1' ' HE2' ' A' ' 36' ' ' LYS . 25.1 m-85 -133.97 149.73 51.24 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 125.817 1.647 . . . . 0.0 111.023 175.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.4 t -136.77 136.27 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.814 1.645 . . . . 0.0 108.178 172.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.8 m -121.71 135.47 54.95 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.168 0.987 . . . . 0.0 108.57 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 87.8 mmm -106.3 146.2 30.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.498 1.119 . . . . 0.0 111.257 -174.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -71.61 -14.52 62.09 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -140.96 151.21 44.0 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.306 1.443 . . . . 0.0 110.904 170.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -49.27 -47.32 46.8 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.052 0.941 . . . . 0.0 112.457 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.37 -24.41 65.69 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.723 -0.61 . . . . 0.0 112.352 -171.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.6 m -75.44 -29.63 59.74 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.143 -0.973 . . . . 0.0 112.77 174.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.17 -34.7 49.53 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.153 -0.967 . . . . 0.0 111.879 169.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -63.59 -37.34 86.97 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.214 1.006 . . . . 0.0 111.413 172.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -66.43 -33.25 75.3 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.338 1.055 . . . . 0.0 112.936 170.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.63 64.26 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.6 p -74.91 -6.05 47.07 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.69 -27.34 69.15 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -120.76 104.49 42.02 Favored Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 125.163 1.385 . . . . 0.0 109.477 170.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -78.34 -18.59 12.36 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.927 2.418 . . . . 0.0 113.035 -178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -131.15 69.71 82.31 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 124.605 1.162 . . . . 0.0 112.245 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -80.2 -9.72 13.89 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 124.479 3.452 . . . . 0.0 116.596 -171.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.7 mm 64.11 55.94 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.696 1.598 . . . . 0.0 111.138 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.1 mt -71.59 124.71 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 121.049 -1.032 . . . . 0.0 109.456 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.6 t0 64.85 13.72 8.72 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.872 1.669 . . . . 0.0 113.728 172.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.91 36.85 5.39 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.371 1.463 . . . . 0.0 115.061 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.2 ttt85 -153.05 143.69 22.72 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.461 1.131 . . . . 0.0 109.534 170.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -62.86 101.5 0.27 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.544 0.688 . . . . 0.0 111.739 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.42 174.48 11.52 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.587 1.155 . . . . 0.0 111.24 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -145.8 94.32 2.47 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.013 1.725 . . . . 0.0 108.622 -173.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 99.3 t -102.7 125.05 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.954 1.702 . . . . 0.0 109.626 -171.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -163.25 155.06 17.62 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.182 0.993 . . . . 0.0 113.095 175.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.9 mt -54.2 141.16 30.27 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.383 0.673 . . . . 0.0 109.487 168.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -42.18 -84.93 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.334 0 N-CA-C 116.557 2.058 . . . . 0.0 116.557 -171.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -26.17 2.66 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.928 1 N-CA-C 124.842 5.127 . . . . 0.0 124.842 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.9 mt -87.69 -74.68 0.44 Allowed 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 124.868 3.485 . . . . 0.0 112.106 -169.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.21 9.17 70.91 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 125.272 1.415 . . . . 0.0 112.854 172.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.11 127.03 29.53 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.006 1.322 . . . . 0.0 111.478 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -87.16 157.4 53.82 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 124.063 0.945 . . . . 0.0 113.08 -173.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -53.25 129.97 36.09 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 124.524 3.483 . . . . 0.0 112.195 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.37 62.52 1.16 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.948 0.899 . . . . 0.0 110.57 -173.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 41.0 p -70.24 167.92 16.91 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.265 1.826 . . . . 0.0 111.433 175.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.3 p30 -161.47 -54.63 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.464 1.106 . . . . 0.0 113.568 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 35.0 m -138.63 12.19 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 125.882 1.673 . . . . 0.0 113.056 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.719 2.008 . . . . 0.0 110.809 -174.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.065 1 C3'-C2'-C1' 105.412 4.347 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.251 0 O4'-C1'-N19 111.978 3.778 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.208 0 O4'-C1'-N19 111.265 3.065 . 0.662 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.663 0 O5'-C5'-C4' 114.086 2.776 . 0.671 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 1 C3'-C2'-C1' 105.126 4.029 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.761 0 C3'-C2'-C1' 103.992 2.769 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -84.99 -3.83 58.93 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -173.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.2 m -65.66 134.66 53.73 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.867 1.667 . . . . 0.0 111.106 -177.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -66.64 152.44 45.36 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.067 0.947 . . . . 0.0 112.659 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.32 166.89 31.78 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.127 1.371 . . . . 0.0 112.264 -176.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -139.9 156.22 70.73 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 127.207 2.203 . . . . 0.0 109.544 -176.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -74.69 64.9 5.78 Favored 'Trans proline' 0 CA--C 1.543 0.975 0 C-N-CA 124.221 3.281 . . . . 0.0 112.181 -175.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.75 -2.32 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.799 1.64 . . . . 0.0 113.019 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 75.8 t -74.64 131.73 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.245 1.418 . . . . 0.0 110.09 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.92 -179.91 49.19 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.8 1.191 . . . . 0.0 112.735 -174.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 t -164.16 167.73 19.8 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.91 1.284 . . . . 0.0 111.553 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -116.78 -0.81 12.2 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.751 1.62 . . . . 0.0 113.128 175.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -161.13 171.54 18.35 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.768 2.027 . . . . 0.0 112.001 -174.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.8 p -95.7 -7.63 36.86 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.236 1.414 . . . . 0.0 114.564 -174.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 95.8 mtp -64.42 -17.93 64.25 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.971 1.259 . . . . 0.0 113.473 -173.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -113.9 5.43 16.21 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.409 1.484 . . . . 0.0 113.489 -177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.1 p -135.18 -23.09 1.52 Allowed 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.921 1.288 . . . . 0.0 113.974 -176.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -89.2 128.29 35.8 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.273 1.429 . . . . 0.0 110.765 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.0 mt -126.4 118.75 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.993 1.717 . . . . 0.0 108.825 -169.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -79.62 138.55 37.46 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.705 1.202 . . . . 0.0 108.785 169.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.2 t -137.68 94.5 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.781 0.832 . . . . 0.0 109.186 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.413 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -101.61 -176.08 28.42 Favored Glycine 0 N--CA 1.468 0.779 0 C-N-CA 122.966 0.317 . . . . 0.0 112.87 174.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.01 17.87 72.18 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 123.354 0.502 . . . . 0.0 113.521 -173.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.3 mt -74.59 141.52 76.34 Favored Pre-proline 0 C--O 1.239 0.552 0 C-N-CA 124.265 1.026 . . . . 0.0 109.205 173.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.7 146.53 67.06 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 121.968 1.779 . . . . 0.0 109.187 170.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -61.63 -13.79 25.27 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 -171.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -90.76 -5.55 55.54 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 115.105 1.521 . . . . 0.0 115.105 176.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.2 m -67.21 130.92 44.64 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.613 1.165 . . . . 0.0 109.323 169.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.2 m -105.51 171.01 7.56 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.31 1.044 . . . . 0.0 111.796 175.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -58.1 -34.95 70.74 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.104 -0.997 . . . . 0.0 112.882 176.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -72.35 -36.85 68.9 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 173.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.6 m -60.43 -42.76 96.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.21 1.404 . . . . 0.0 110.278 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.4 tp -73.2 -39.54 65.48 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.676 0.791 . . . . 0.0 112.59 177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -59.42 -40.59 87.19 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.536 0.607 . . . . 0.0 111.451 173.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -67.0 -31.38 71.9 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.178 0.991 . . . . 0.0 112.567 -175.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -74.36 -32.13 62.66 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.27 -0.894 . . . . 0.0 113.112 176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -84.43 -6.94 59.43 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -173.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -66.4 -17.11 64.59 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.496 1.044 . . . . 0.0 113.234 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -74.32 -15.47 60.95 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.565 1.146 . . . . 0.0 113.341 177.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -97.94 -13.23 21.28 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.419 1.088 . . . . 0.0 113.36 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.41 -145.32 17.41 Favored Glycine 0 C--N 1.339 0.726 0 C-N-CA 124.251 0.929 . . . . 0.0 113.346 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -88.24 119.81 29.01 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.174 0.99 . . . . 0.0 111.844 -170.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 52.1 mt -91.75 130.4 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.378 1.071 . . . . 0.0 109.273 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -89.93 -37.87 14.07 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.609 1.564 . . . . 0.0 111.648 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -166.42 152.91 8.98 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.314 1.846 . . . . 0.0 109.378 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.45 143.27 24.66 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.583 1.153 . . . . 0.0 110.77 174.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.7 m -151.45 158.9 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.627 1.571 . . . . 0.0 111.454 -173.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.3 t -128.45 133.55 66.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.796 1.638 . . . . 0.0 107.433 169.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.6 mm -81.7 124.82 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.628 0.771 . . . . 0.0 112.17 -168.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.8 p -143.4 143.18 31.53 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 127.119 2.168 . . . . 0.0 110.432 -175.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -60.41 141.91 55.71 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 175.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -67.81 -14.77 63.23 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -173.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -129.73 -27.17 2.37 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.792 1.237 . . . . 0.0 114.194 -174.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.5 p -105.87 -16.1 14.74 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.553 1.541 . . . . 0.0 113.594 174.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 61.51 13.14 4.9 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.279 1.832 . . . . 0.0 113.929 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 129.2 39.27 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.172 -0.955 . . . . 0.0 112.222 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 m -75.2 131.97 40.79 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.08 -1.012 . . . . 0.0 111.874 -174.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -82.03 0.65 39.38 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.62 8.53 80.13 Favored Glycine 0 N--CA 1.475 1.239 0 C-N-CA 124.543 1.068 . . . . 0.0 114.194 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.413 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 13.4 p90 -148.02 164.32 34.16 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.822 1.249 . . . . 0.0 113.868 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.19 -169.93 15.05 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 127.081 2.277 . . . . 0.0 112.637 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -134.17 150.65 51.1 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.753 1.621 . . . . 0.0 110.873 175.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.2 t -134.25 132.88 55.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 125.715 1.606 . . . . 0.0 108.085 170.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.6 m -114.95 132.51 56.54 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.8 mmm -101.44 144.53 30.12 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.347 1.059 . . . . 0.0 110.407 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -64.45 -17.55 63.92 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -153.16 150.32 28.94 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.037 1.335 . . . . 0.0 111.946 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 -57.48 -31.97 66.52 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.211 1.004 . . . . 0.0 112.669 177.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.39 -23.49 65.58 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.9 m -86.48 -35.01 19.88 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.467 -0.77 . . . . 0.0 111.686 174.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.74 -37.43 76.47 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.141 -0.974 . . . . 0.0 112.722 173.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -55.39 -44.18 75.86 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 124.11 0.964 . . . . 0.0 111.827 169.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -66.57 -36.35 82.44 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.65 0.659 . . . . 0.0 112.411 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.51 -35.49 73.23 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.2 p -76.74 -10.09 59.13 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 -174.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -70.55 -25.73 63.23 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -176.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -110.69 103.31 54.22 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 124.838 1.255 . . . . 0.0 109.827 170.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.0 -15.82 12.87 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.028 2.485 . . . . 0.0 113.076 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -137.67 75.66 43.27 Favored Pre-proline 0 CA--C 1.551 1.006 0 C-N-CA 124.525 1.13 . . . . 0.0 112.438 -173.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -80.13 -13.38 12.65 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.128 3.219 . . . . 0.0 116.154 -173.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.1 mm 63.5 57.37 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 125.652 1.581 . . . . 0.0 111.269 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.3 mt -71.69 119.83 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 124.21 1.004 . . . . 0.0 110.019 -174.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.1 24.43 12.75 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 126.507 1.923 . . . . 0.0 113.997 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.53 30.69 7.93 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.55 1.071 . . . . 0.0 115.697 170.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -153.13 140.11 19.21 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.107 1.363 . . . . 0.0 109.013 174.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -64.45 103.36 0.65 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.321 0.581 . . . . 0.0 112.271 -176.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.67 162.17 28.47 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.94 0.896 . . . . 0.0 110.266 169.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -134.79 99.45 4.32 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.847 1.659 . . . . 0.0 107.482 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.9 t -103.88 128.59 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.939 1.696 . . . . 0.0 110.337 -169.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -166.27 160.28 15.79 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.844 1.258 . . . . 0.0 112.641 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.4 mt -53.21 149.09 7.48 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.541 0.737 . . . . 0.0 110.37 169.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -46.9 -92.81 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.272 0 N-CA-C 115.803 1.779 . . . . 0.0 115.803 -175.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -27.29 5.25 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.104 1 N-CA-C 124.582 5.031 . . . . 0.0 124.582 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.9 mt -89.62 -74.34 0.48 Allowed 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 124.539 3.336 . . . . 0.0 112.645 -168.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -85.01 14.12 50.76 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.386 1.469 . . . . 0.0 113.06 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.52 149.93 33.01 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.429 1.892 . . . . 0.0 112.953 -177.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -111.42 154.62 43.68 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.187 1.395 . . . . 0.0 112.953 -172.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.19 136.05 23.8 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 123.024 2.482 . . . . 0.0 108.905 168.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 16.5 mmt85 -137.6 87.33 2.25 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.763 1.225 . . . . 0.0 109.852 -174.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 34.8 p -59.94 -16.65 31.6 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 125.821 1.649 . . . . 0.0 114.623 -172.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -78.95 -5.39 53.63 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.254 1.422 . . . . 0.0 114.726 173.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.5 m -141.93 157.73 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 125.188 1.395 . . . . 0.0 112.043 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 . . . . . 0 C--O 1.253 1.267 0 C-N-CA 126.044 1.738 . . . . 0.0 111.316 -178.927 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 1 O4'-C1'-N19 112.719 4.519 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.043 1 O4'-C1'-N19 113.12 4.92 . 0.053 5q . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.284 1 C5'-C4'-C3' 109.292 -4.139 . 0.821 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 C3'-C2'-C1' 99.22 -2.533 . 0.465 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 C3'-C2'-C1' 105.011 3.901 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C5'-C4'-C3' 111.161 -2.893 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.983 -0.447 . . . . 0.0 111.983 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.2 t -163.58 147.26 10.34 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.02 1.328 . . . . 0.0 111.375 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.5 p -69.8 -12.81 61.91 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.767 1.227 . . . . 0.0 113.124 174.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -80.81 -10.76 59.69 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.78 1.232 . . . . 0.0 113.356 174.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.47 145.4 50.98 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.017 0.927 . . . . 0.0 112.316 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -147.29 161.11 37.54 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 126.096 1.758 . . . . 0.0 110.466 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -65.6 39.8 0.13 Allowed 'Trans proline' 0 CA--C 1.549 1.261 1 C-N-CA 125.415 4.076 . . . . 0.0 116.829 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.5 m -78.22 42.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 C-N-CA 126.045 1.738 . . . . 0.0 112.484 -176.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 p -157.88 143.07 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.816 2.046 . . . . 0.0 110.065 -170.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.06 3.84 90.2 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.2 0.905 . . . . 0.0 113.848 -173.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.8 p -76.23 -12.97 60.18 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.513 1.525 . . . . 0.0 114.088 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 58.64 49.63 10.05 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.862 1.665 . . . . 0.0 112.087 172.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -145.04 154.27 42.33 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.966 1.706 . . . . 0.0 111.867 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.0 p -80.69 -11.02 59.69 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.498 1.919 . . . . 0.0 114.961 -168.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 57.0 ttm -53.68 -24.08 13.4 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.736 1.214 . . . . 0.0 114.072 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -119.54 11.16 12.0 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.97 1.308 . . . . 0.0 113.939 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.5 p -135.31 -24.49 1.4 Allowed 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 124.687 1.195 . . . . 0.0 114.128 178.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -88.51 132.02 34.67 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.648 1.179 . . . . 0.0 110.995 175.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.9 mt -129.21 122.03 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 126.56 1.944 . . . . 0.0 109.15 -169.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -81.29 135.62 35.72 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.338 1.455 . . . . 0.0 108.14 168.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.8 t -137.12 94.48 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.948 0.899 . . . . 0.0 109.463 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.26 -175.74 26.36 Favored Glycine 0 N--CA 1.47 0.947 0 C-N-CA 123.185 0.422 . . . . 0.0 113.467 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.76 13.61 75.16 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.087 0.851 . . . . 0.0 114.024 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.9 mt -74.22 147.78 85.8 Favored Pre-proline 0 C--O 1.24 0.58 0 C-N-CA 125.306 1.442 . . . . 0.0 110.67 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -59.13 148.53 85.23 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.677 2.251 . . . . 0.0 111.384 167.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -64.32 -11.42 32.03 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 176.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 27.8 p80 -97.61 -7.44 31.12 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 115.165 1.542 . . . . 0.0 115.165 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.3 m -64.03 136.31 57.19 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.389 1.076 . . . . 0.0 109.438 169.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.3 m -113.44 168.13 10.0 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.022 0.929 . . . . 0.0 112.016 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -59.01 -34.94 72.44 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.333 1.053 . . . . 0.0 112.905 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -65.51 -43.74 89.16 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.413 1.085 . . . . 0.0 111.722 171.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -62.35 -45.04 94.97 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.179 1.392 . . . . 0.0 110.74 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.29 -35.84 66.19 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.592 0.757 . . . . 0.0 112.696 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -59.03 -44.14 91.7 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.769 0.713 . . . . 0.0 110.804 170.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -70.01 -37.65 75.73 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.782 0.833 . . . . 0.0 112.093 -174.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -64.06 -33.37 75.6 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 176.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -83.53 -6.42 59.44 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -67.11 -16.89 64.61 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.758 1.163 . . . . 0.0 113.115 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -69.2 -15.93 63.5 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.045 0.938 . . . . 0.0 113.38 173.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -99.31 -13.84 19.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.675 1.19 . . . . 0.0 113.272 -178.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.85 -162.44 24.96 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.17 1.367 . . . . 0.0 112.864 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -71.57 149.08 46.03 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.099 1.36 . . . . 0.0 112.211 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 41.9 mt -129.4 137.0 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 125.276 1.43 . . . . 0.0 109.935 -170.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.69 -50.74 10.16 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.175 0.99 . . . . 0.0 111.463 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -168.61 153.39 6.12 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.874 1.67 . . . . 0.0 109.458 -171.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.0 155.62 45.44 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.838 1.255 . . . . 0.0 110.527 169.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.7 m -149.06 157.74 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.84 1.656 . . . . 0.0 110.8 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.3 t -125.68 132.44 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 106.916 -1.512 . . . . 0.0 106.916 168.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.6 mm -80.42 104.66 9.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.841 0.829 . . . . 0.0 110.809 -169.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.3 p -110.22 135.5 50.89 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 126.687 1.995 . . . . 0.0 108.3 169.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.459 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 31.2 t0 -53.66 123.65 12.86 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.812 0.845 . . . . 0.0 112.278 -175.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -68.58 1.53 3.08 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -114.07 -23.85 9.31 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.542 1.937 . . . . 0.0 114.006 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.6 p -139.22 -11.85 1.23 Allowed 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 125.668 1.587 . . . . 0.0 115.107 -170.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 62.68 14.89 7.59 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.717 2.407 . . . . 0.0 113.791 -176.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.459 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -70.35 133.82 47.3 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.956 -1.09 . . . . 0.0 110.779 174.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.3 m -78.58 132.98 37.35 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.077 0.951 . . . . 0.0 111.78 -175.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -88.92 -4.39 58.47 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.46 11.99 76.56 Favored Glycine 0 N--CA 1.475 1.271 0 C-N-CA 124.016 0.817 . . . . 0.0 114.578 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -144.63 165.07 29.07 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.974 1.31 . . . . 0.0 113.813 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -149.41 -171.97 18.54 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 127.119 2.295 . . . . 0.0 112.514 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -134.69 150.98 50.68 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.745 1.618 . . . . 0.0 110.876 175.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.4 t -136.43 137.31 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.867 1.667 . . . . 0.0 108.427 174.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.8 m -121.59 125.32 46.45 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.619 0.767 . . . . 0.0 109.206 175.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 81.5 mmm -90.45 144.99 25.27 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.299 1.04 . . . . 0.0 111.443 -174.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -71.72 -16.93 62.24 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -144.82 149.87 36.17 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.861 1.264 . . . . 0.0 111.019 172.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -56.49 -36.67 69.39 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.253 1.021 . . . . 0.0 112.077 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.92 -17.79 62.07 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.1 m -80.16 -33.01 38.79 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.288 -0.882 . . . . 0.0 111.208 170.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.22 -36.53 74.61 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.003 -1.06 . . . . 0.0 111.922 170.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -62.76 -21.62 65.97 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -85.58 -39.96 16.78 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.177 0.991 . . . . 0.0 111.796 171.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.48 84.45 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 16.1 p -74.44 -9.67 58.82 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.036 1.495 . . . . 0.0 115.036 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -68.94 -22.42 64.14 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -179.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -120.26 101.24 47.06 Favored Pre-proline 0 CA--C 1.544 0.75 0 C-N-CA 124.701 1.201 . . . . 0.0 109.829 172.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.43 -15.4 15.76 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.294 2.662 . . . . 0.0 112.783 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -137.48 71.76 51.85 Favored Pre-proline 0 CA--C 1.554 1.12 0 C-N-CA 125.165 1.386 . . . . 0.0 111.75 -176.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -78.36 -11.13 16.04 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 124.287 3.324 . . . . 0.0 116.253 -171.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.9 mm 64.46 54.54 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 C-N-CA 125.738 1.615 . . . . 0.0 111.424 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 67.7 mt -70.54 127.02 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 124.46 1.104 . . . . 0.0 109.819 -177.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 59.09 20.46 8.37 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.813 1.645 . . . . 0.0 114.085 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.19 30.69 10.6 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.497 1.046 . . . . 0.0 114.605 174.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -149.52 140.94 23.29 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.603 1.161 . . . . 0.0 109.902 174.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.12 102.66 0.31 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.622 0.725 . . . . 0.0 112.227 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.81 168.06 20.27 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.733 1.213 . . . . 0.0 110.723 172.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -136.7 103.69 5.29 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.824 1.65 . . . . 0.0 108.475 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 90.2 t -108.09 128.2 63.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.511 1.524 . . . . 0.0 110.369 -169.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -163.88 156.72 17.92 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.809 1.244 . . . . 0.0 112.613 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.7 mt -53.83 138.98 34.7 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.573 0.749 . . . . 0.0 110.137 169.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -39.16 -79.53 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.337 0 N-CA-C 116.267 1.951 . . . . 0.0 116.267 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -30.81 0.26 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.935 1 N-CA-C 124.224 4.898 . . . . 0.0 124.224 -177.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.5 mt -85.69 -66.38 0.91 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 124.784 3.447 . . . . 0.0 111.808 -169.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -85.16 21.8 11.44 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.365 1.459 . . . . 0.0 113.033 171.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.4 120.04 12.65 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.086 1.355 . . . . 0.0 112.296 -173.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -80.91 151.37 70.53 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 125.174 1.389 . . . . 0.0 112.499 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.33 129.38 17.95 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.216 2.611 . . . . 0.0 109.214 172.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -162.01 133.23 5.21 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.869 1.268 . . . . 0.0 109.992 -169.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -163.11 148.41 11.63 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.316 1.447 . . . . 0.0 111.078 -172.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -87.48 -20.52 26.44 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.456 1.102 . . . . 0.0 113.46 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.0 p -169.38 141.45 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.057 1.343 . . . . 0.0 111.174 -170.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 . . . . . 0 C--O 1.254 1.298 0 C-N-CA 126.475 1.91 . . . . 0.0 111.308 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.878 1 O4'-C1'-N19 113.14 4.94 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.735 0 O4'-C1'-N19 111.762 3.562 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.267 0 C5'-C4'-C3' 110.247 -3.502 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.192 0 O4'-C1'-N19 111.46 3.26 . 0.786 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.303 0 C3'-C2'-C1' 105.098 3.998 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 O5'-C5'-C4' 114.022 2.73 . 0.199 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -163.29 165.22 24.45 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.594 1.558 . . . . 0.0 111.15 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.3 t -164.44 154.12 13.91 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.976 1.71 . . . . 0.0 111.39 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -99.89 5.23 45.36 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.739 1.616 . . . . 0.0 113.036 170.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.74 167.73 12.75 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.004 1.322 . . . . 0.0 113.44 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -155.95 162.2 27.91 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 126.123 1.769 . . . . 0.0 110.804 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -59.55 146.69 94.46 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.728 2.952 . . . . 0.0 114.024 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.0 m -119.19 42.57 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.831 1.652 . . . . 0.0 110.871 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -158.62 149.85 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 126.484 1.914 . . . . 0.0 110.003 -170.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.61 -2.72 62.72 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.877 1.227 . . . . 0.0 113.522 -171.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.3 p -161.55 150.27 15.79 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.674 1.99 . . . . 0.0 110.22 176.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.8 mtp85 -148.69 125.01 10.88 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.258 1.423 . . . . 0.0 109.687 -175.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -166.8 167.2 15.23 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.401 1.48 . . . . 0.0 111.12 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.6 p -60.3 -30.39 69.45 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.549 1.539 . . . . 0.0 112.978 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.7 mtp -58.99 -13.34 6.22 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.837 1.255 . . . . 0.0 113.591 173.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -122.04 -2.56 9.16 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.477 1.511 . . . . 0.0 113.982 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.7 p -143.34 -19.21 0.62 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -174.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -93.32 128.87 39.52 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.809 1.244 . . . . 0.0 110.423 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.1 mt -126.83 119.12 52.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 125.44 1.496 . . . . 0.0 109.587 -168.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -79.43 138.63 37.68 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.521 1.128 . . . . 0.0 108.21 168.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.5 t -137.01 89.62 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.117 0.967 . . . . 0.0 109.502 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -92.74 -179.05 40.65 Favored Glycine 0 N--CA 1.467 0.735 0 C-N-CA 123.122 0.391 . . . . 0.0 113.09 172.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.04 24.03 75.94 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 123.969 0.795 . . . . 0.0 113.711 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.94 143.19 73.88 Favored Pre-proline 0 C--O 1.241 0.63 0 C-N-CA 124.381 1.072 . . . . 0.0 109.402 171.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.78 142.11 62.09 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.595 1.53 . . . . 0.0 108.624 169.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -60.29 -12.76 9.86 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 -168.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -91.53 0.06 57.55 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.663 1.585 . . . . 0.0 114.896 175.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.3 m -66.57 135.05 53.58 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.084 1.354 . . . . 0.0 109.566 173.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.5 m -110.12 168.94 9.06 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.18 0.992 . . . . 0.0 111.847 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -58.58 -33.61 70.16 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.099 -1.001 . . . . 0.0 112.967 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -70.21 -41.51 73.55 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.307 0.643 . . . . 0.0 111.787 172.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.3 m -57.95 -44.19 86.83 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.236 1.415 . . . . 0.0 110.666 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.5 tp -73.62 -37.03 65.53 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -60.09 -41.89 93.45 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.688 -0.632 . . . . 0.0 111.169 172.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -66.33 -38.78 88.45 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.922 0.889 . . . . 0.0 112.122 -176.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -67.02 -31.25 71.67 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -86.63 -6.21 58.92 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.649 1.352 . . . . 0.0 114.649 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -67.15 -17.86 65.03 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.646 1.112 . . . . 0.0 113.284 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -72.01 -19.12 61.91 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.281 1.032 . . . . 0.0 113.004 176.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -93.56 -16.49 24.36 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.612 1.165 . . . . 0.0 113.46 -175.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.21 -146.34 18.31 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 124.586 1.089 . . . . 0.0 113.262 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -86.57 125.92 34.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.26 1.024 . . . . 0.0 112.061 -171.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.9 mt -100.16 130.93 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.793 1.237 . . . . 0.0 109.472 -177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -87.01 -44.09 11.85 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.692 1.597 . . . . 0.0 110.494 177.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -164.41 153.22 13.09 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.451 1.901 . . . . 0.0 109.622 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.73 144.73 28.49 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.861 1.264 . . . . 0.0 110.687 174.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 m -151.29 156.67 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 125.511 1.524 . . . . 0.0 111.487 -173.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.7 t -124.88 136.59 60.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 125.392 1.477 . . . . 0.0 107.525 169.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 19.6 mm -82.99 98.7 5.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 CA-C-O 121.845 0.831 . . . . 0.0 111.335 -168.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.9 p -122.39 129.0 51.65 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 127.276 2.23 . . . . 0.0 110.286 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.49 ' HA ' ' C5 ' ' B' ' 12' ' ' ' C' . 33.5 t70 -56.29 141.31 41.97 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 -169.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -70.27 -14.26 62.52 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.003 -0.999 . . . . 0.0 113.636 -172.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -120.77 -25.45 5.45 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.342 1.857 . . . . 0.0 114.58 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.5 p -122.52 -13.35 8.01 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -176.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 59.99 11.55 2.7 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.839 2.055 . . . . 0.0 114.807 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 141.66 56.8 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.086 -1.009 . . . . 0.0 111.965 177.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.2 m -89.68 129.41 36.11 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 120.632 -1.292 . . . . 0.0 112.207 -170.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -77.18 -9.74 58.96 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.25 3.26 79.08 Favored Glycine 0 N--CA 1.474 1.188 0 C-N-CA 124.81 1.195 . . . . 0.0 114.175 -174.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.404 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 33.0 p90 -138.82 162.67 34.19 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.41 -171.89 14.66 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 127.812 2.625 . . . . 0.0 112.054 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -136.49 151.61 49.63 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 125.694 1.598 . . . . 0.0 110.999 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -136.7 134.96 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.617 1.567 . . . . 0.0 108.318 172.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 83.5 m -116.69 131.28 56.99 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 173.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 89.4 mmm -99.9 146.26 26.86 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.564 1.146 . . . . 0.0 110.274 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -68.21 -17.52 64.34 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -152.65 150.79 29.85 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.614 1.166 . . . . 0.0 112.601 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -58.47 -30.53 67.04 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.996 1.319 . . . . 0.0 112.933 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.96 -25.65 61.09 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 176.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 61.7 m -81.32 -35.85 30.47 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.439 -0.788 . . . . 0.0 110.967 169.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.85 -37.94 85.42 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -62.74 -42.29 99.6 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 119.005 0.82 . . . . 0.0 111.483 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.1 mtp180 -64.86 -33.95 77.23 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.932 0.893 . . . . 0.0 112.004 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.42 -37.27 68.67 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.712 0.805 . . . . 0.0 113.046 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.9 p -84.32 -6.35 59.38 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 177.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -63.83 -17.09 62.78 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.489 1.516 . . . . 0.0 114.684 -174.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -131.22 113.9 15.97 Favored Pre-proline 0 CA--C 1.545 0.752 0 C-N-CA 126.259 1.823 . . . . 0.0 109.099 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.92 -16.52 12.63 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.95 2.434 . . . . 0.0 113.447 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -132.59 70.1 79.48 Favored Pre-proline 0 CA--C 1.554 1.112 0 C-N-CA 124.923 1.289 . . . . 0.0 112.154 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.83 -11.71 16.63 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.973 3.115 . . . . 0.0 116.546 -173.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mm 65.43 60.74 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 125.97 1.708 . . . . 0.0 111.281 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.4 mt -72.75 118.32 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.122 -0.986 . . . . 0.0 110.021 -174.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 t70 60.45 18.37 8.13 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.867 2.067 . . . . 0.0 114.67 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.11 32.47 4.96 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.745 1.164 . . . . 0.0 115.833 172.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.25 141.32 21.27 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 118.67 1.235 . . . . 0.0 109.513 172.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -62.56 110.89 1.84 Allowed 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.602 -0.686 . . . . 0.0 111.116 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -84.55 173.21 10.99 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.661 1.584 . . . . 0.0 111.301 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -143.81 97.73 3.11 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.887 1.675 . . . . 0.0 108.95 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 87.7 t -108.75 129.33 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.141 1.376 . . . . 0.0 110.269 -169.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -159.12 160.53 35.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.091 0.957 . . . . 0.0 113.453 170.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.7 mt -65.23 115.51 5.62 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 169.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -19.39 -75.13 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 127.734 2.414 . . . . 0.0 117.158 -169.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -34.88 2.5 0.0 OUTLIER 'General case' 0 CA--C 1.574 1.9 1 N-CA-C 123.866 4.765 . . . . 0.0 123.866 -176.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.3 mt -84.07 -69.68 0.62 Allowed 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 124.842 3.474 . . . . 0.0 112.029 -168.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -89.45 25.05 11.58 Favored Glycine 0 N--CA 1.472 1.095 0 C-N-CA 125.451 1.501 . . . . 0.0 112.462 170.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -69.06 138.44 54.39 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.687 1.195 . . . . 0.0 113.806 -169.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -98.36 150.68 36.96 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 125.651 1.581 . . . . 0.0 112.742 -175.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -74.96 150.88 38.99 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.631 2.888 . . . . 0.0 111.547 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -147.29 150.47 34.86 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.573 1.949 . . . . 0.0 109.475 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -161.1 150.98 17.22 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.134 1.373 . . . . 0.0 111.666 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -78.58 -10.9 59.9 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.451 1.1 . . . . 0.0 112.2 168.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 25.9 t 76.03 121.09 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 128.759 2.824 . . . . 0.0 110.812 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.323 1.849 . . . . 0.0 112.693 -175.357 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 2 O4'-C1'-N19 114.906 6.706 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 0 O4'-C4'-C3' 109.709 3.007 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 C5'-C4'-C3' 109.571 -3.953 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.281 1 O4'-C1'-N19 112.874 4.674 . 0.644 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.851 1 C5'-C4'-C3' 109.326 -4.116 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.49 ' C5 ' ' HA ' ' A' ' 69' ' ' ASP . . . . . . . . 0 C5'--C4' 1.542 2.494 0 C4'-C3'-C2' 99.972 -2.728 . 0.01 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 112.041 -0.423 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.1 t -163.13 165.14 24.92 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.447 1.499 . . . . 0.0 111.24 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -164.83 161.06 20.12 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.429 1.892 . . . . 0.0 110.747 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -71.68 112.71 8.02 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.095 0.958 . . . . 0.0 111.081 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -164.05 163.38 23.28 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.046 1.738 . . . . 0.0 111.481 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -72.11 144.54 87.53 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 123.784 0.834 . . . . 0.0 111.194 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.99 137.91 24.89 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.288 2.659 . . . . 0.0 111.648 -176.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.3 m -78.28 74.2 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.502 1.121 . . . . 0.0 110.621 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -145.14 153.2 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 126.203 1.801 . . . . 0.0 110.98 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -72.2 158.98 53.56 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 124.334 0.969 . . . . 0.0 113.982 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 t -168.08 -173.02 1.93 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.494 1.917 . . . . 0.0 110.276 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -64.21 147.5 52.22 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.423 1.489 . . . . 0.0 113.164 -176.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 73.87 143.48 0.07 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 129.84 3.256 . . . . 0.0 115.618 174.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.6 p -80.48 -5.05 56.03 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.243 1.817 . . . . 0.0 114.203 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 37.8 mtt -51.99 -24.58 6.78 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.116 1.366 . . . . 0.0 113.64 175.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -107.53 -1.99 20.79 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.53 1.532 . . . . 0.0 113.84 -175.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.4 p -130.58 -22.12 2.74 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.748 1.219 . . . . 0.0 113.633 -174.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -86.43 126.05 34.12 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.361 1.064 . . . . 0.0 109.982 169.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.6 mt -125.73 119.64 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 126.01 1.724 . . . . 0.0 108.801 -169.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -80.64 139.57 36.15 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.491 1.516 . . . . 0.0 108.949 169.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.92 97.8 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.992 0.917 . . . . 0.0 109.375 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -107.71 -176.98 22.41 Favored Glycine 0 N--CA 1.471 0.975 0 C-N-CA 123.152 0.406 . . . . 0.0 113.26 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.94 16.4 74.69 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.168 0.89 . . . . 0.0 113.799 -174.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.6 mt -71.16 145.64 91.41 Favored Pre-proline 0 CA--C 1.54 0.585 0 C-N-CA 125.133 1.373 . . . . 0.0 109.744 174.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -71.28 149.42 57.25 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 122.001 1.8 . . . . 0.0 109.412 169.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -64.18 -9.41 16.72 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 -170.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -92.68 -5.73 50.76 Favored 'General case' 0 CA--C 1.551 1.019 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -65.12 139.22 58.67 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.827 1.251 . . . . 0.0 109.957 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -113.58 168.79 9.47 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.63 1.172 . . . . 0.0 112.23 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -58.32 -32.68 68.7 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.966 0.906 . . . . 0.0 112.157 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -72.0 -45.07 62.28 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.462 1.105 . . . . 0.0 111.279 174.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.5 m -54.58 -45.3 73.54 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.856 1.262 . . . . 0.0 110.888 176.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 tp -74.92 -38.24 61.85 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -59.77 -43.02 94.53 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.773 0.715 . . . . 0.0 111.084 172.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -69.19 -37.23 78.02 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.252 1.021 . . . . 0.0 111.663 -174.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -66.59 -31.53 72.29 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.415 -0.803 . . . . 0.0 113.022 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -84.23 -8.43 59.05 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -176.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.21 -16.41 64.28 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.673 1.124 . . . . 0.0 113.193 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -72.95 -15.56 61.56 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.243 1.017 . . . . 0.0 113.229 175.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -98.34 -16.18 19.44 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.509 1.124 . . . . 0.0 113.28 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.33 -145.04 16.39 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 124.416 1.008 . . . . 0.0 113.493 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -92.52 132.47 36.8 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.469 1.107 . . . . 0.0 112.271 -169.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.9 mt -111.47 126.56 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.831 1.253 . . . . 0.0 109.893 -172.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -82.88 -44.76 15.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.028 1.731 . . . . 0.0 110.612 -179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -166.1 152.07 8.98 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.635 1.974 . . . . 0.0 109.211 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.16 147.3 29.3 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.79 1.236 . . . . 0.0 110.983 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.1 m -150.82 157.85 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.664 1.586 . . . . 0.0 111.422 -174.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.0 t -127.61 137.45 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.399 1.479 . . . . 0.0 107.299 168.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 17.0 mm -83.89 95.34 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.75 0 C-N-CA 124.268 1.027 . . . . 0.0 108.983 -169.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 p -123.74 116.77 23.57 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 129.367 3.067 . . . . 0.0 108.53 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -39.7 135.42 1.2 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 116.296 1.961 . . . . 0.0 116.296 -165.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -52.67 -24.4 8.46 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.043 1.337 . . . . 0.0 114.339 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -121.31 -43.36 2.42 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.172 1.789 . . . . 0.0 113.299 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.2 p -96.09 -15.76 21.98 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 61.09 13.45 4.69 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.639 1.976 . . . . 0.0 113.811 177.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.13 139.87 39.01 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.905 -1.122 . . . . 0.0 110.961 173.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.7 t -76.11 144.45 40.67 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.222 -0.924 . . . . 0.0 113.267 -173.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -88.83 -0.14 57.08 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.232 1.413 . . . . 0.0 113.157 169.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.39 8.19 68.58 Favored Glycine 0 N--CA 1.475 1.242 0 C-N-CA 124.998 1.285 . . . . 0.0 114.911 176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -147.98 168.96 20.94 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.943 1.297 . . . . 0.0 114.122 -178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.27 -173.02 22.09 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 127.888 2.661 . . . . 0.0 112.326 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -138.26 150.58 46.81 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.741 1.616 . . . . 0.0 111.236 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.1 t -136.6 133.74 48.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.818 1.647 . . . . 0.0 108.3 172.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.5 m -114.91 128.64 56.41 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.046 0.938 . . . . 0.0 108.524 174.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 80.1 mmm -96.35 145.09 25.92 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.288 1.035 . . . . 0.0 110.74 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -69.81 -17.01 63.38 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -152.39 150.36 29.6 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.972 1.309 . . . . 0.0 111.068 176.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -58.91 -29.19 66.89 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.805 1.242 . . . . 0.0 112.768 179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.1 -27.11 69.16 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.347 1.059 . . . . 0.0 113.578 173.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -85.66 -32.02 22.21 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.49 0.716 . . . . 0.0 111.754 175.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.91 -37.92 67.07 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 120.985 -1.072 . . . . 0.0 112.869 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -60.87 -33.97 73.9 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.967 0.907 . . . . 0.0 111.793 171.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -73.55 -33.12 64.54 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.719 0.808 . . . . 0.0 112.734 172.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.04 -33.46 68.01 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 11.6 p -73.94 -7.0 50.73 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -65.92 -22.64 66.51 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -122.07 90.24 48.76 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 126.068 1.747 . . . . 0.0 110.15 175.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -66.26 -34.04 37.22 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.573 2.849 . . . . 0.0 112.748 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -122.11 79.0 43.03 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 124.506 1.123 . . . . 0.0 111.822 -178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -80.73 -15.54 10.76 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.997 3.131 . . . . 0.0 115.687 -174.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mm 63.79 55.15 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.715 1.606 . . . . 0.0 111.024 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.8 mt -69.79 117.99 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 O-C-N 121.098 -1.002 . . . . 0.0 109.775 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.71 22.27 9.8 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.536 1.935 . . . . 0.0 114.47 176.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.28 35.43 5.0 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.627 1.108 . . . . 0.0 115.576 170.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.2 ttt85 -151.72 141.2 21.6 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 118.765 1.282 . . . . 0.0 110.394 169.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -64.64 102.79 0.6 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.727 0.775 . . . . 0.0 111.85 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.6 164.95 20.47 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.948 1.299 . . . . 0.0 111.54 176.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -130.11 103.88 7.0 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.662 1.985 . . . . 0.0 108.893 175.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.0 t -97.92 126.17 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 126.198 1.799 . . . . 0.0 109.06 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -163.25 159.67 23.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.186 0.994 . . . . 0.0 112.702 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.9 mt -53.8 148.53 9.98 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.604 0.762 . . . . 0.0 110.61 170.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -49.69 -94.44 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 125.79 1.636 . . . . 0.0 115.414 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -28.93 7.95 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.039 1 N-CA-C 124.672 5.064 . . . . 0.0 124.672 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.1 mt -86.18 -78.7 0.27 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 124.11 3.141 . . . . 0.0 112.372 -169.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -85.92 22.3 12.36 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 125.719 1.628 . . . . 0.0 112.931 173.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.27 150.84 48.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.432 1.893 . . . . 0.0 113.053 -174.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -135.74 135.71 22.33 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.32 1.048 . . . . 0.0 112.669 -169.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -69.22 144.13 55.84 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.787 2.991 . . . . 0.0 113.27 -169.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -110.19 2.07 19.11 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.127 1.771 . . . . 0.0 113.368 176.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 37.8 m -140.3 141.37 35.75 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.846 1.659 . . . . 0.0 110.391 -169.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -157.03 146.71 20.6 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.793 1.637 . . . . 0.0 110.758 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 58.8 t -145.29 123.23 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 126.045 1.738 . . . . 0.0 108.574 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 . . . . . 0 C--O 1.252 1.195 0 C-N-CA 126.286 1.834 . . . . 0.0 111.483 -176.204 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 1 C3'-C2'-C1' 105.393 4.325 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 O4'-C1'-N19 111.69 3.49 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.122 0 C5'-C4'-C3' 110.171 -3.552 . 0.598 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.81 0 C3'-C2'-C1' 98.67 -3.145 . 0.354 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.548 1 C3'-C2'-C1' 106.285 5.316 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.425 0 O4'-C1'-N19 111.178 2.978 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 112.021 -0.432 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.1 t -163.24 177.62 8.87 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.504 1.521 . . . . 0.0 111.273 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -147.74 7.14 0.83 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.275 1.83 . . . . 0.0 113.209 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -158.65 142.15 15.06 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.818 1.247 . . . . 0.0 111.828 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.84 152.66 17.81 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.449 1.899 . . . . 0.0 110.762 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -146.11 159.76 45.05 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 125.513 1.525 . . . . 0.0 110.757 -177.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -66.41 54.28 0.38 Allowed 'Trans proline' 0 CA--C 1.549 1.257 1 C-N-CA 125.43 4.086 . . . . 0.0 115.573 179.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.2 p -156.98 120.86 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 125.958 1.703 . . . . 0.0 109.692 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 p -170.53 148.93 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 126.024 1.73 . . . . 0.0 110.228 -171.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.12 171.17 43.06 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 124.746 1.165 . . . . 0.0 114.308 174.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -67.67 -3.65 9.72 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.357 1.463 . . . . 0.0 114.393 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.1 ptp85 -66.94 -6.7 17.75 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.66 1.984 . . . . 0.0 115.253 174.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -140.95 144.74 35.31 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.247 1.819 . . . . 0.0 111.029 175.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.3 p -73.56 -13.55 61.05 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.293 1.437 . . . . 0.0 113.988 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 48.4 ttm -51.29 -29.95 16.51 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.998 1.719 . . . . 0.0 113.621 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -111.3 0.34 16.66 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.5 p -124.9 -18.91 5.39 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -176.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -85.89 125.33 33.25 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.869 1.268 . . . . 0.0 110.562 170.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.6 mt -126.52 119.32 53.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 126.28 1.832 . . . . 0.0 108.867 -170.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -82.71 135.88 34.89 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.135 1.374 . . . . 0.0 108.324 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.3 t -136.11 90.54 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.722 0.809 . . . . 0.0 109.68 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.435 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -98.37 -171.02 32.01 Favored Glycine 0 N--CA 1.468 0.792 0 C-N-CA 123.122 0.391 . . . . 0.0 113.308 175.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.14 7.51 82.07 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 123.839 0.733 . . . . 0.0 114.872 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.41 149.64 97.19 Favored Pre-proline 0 C--O 1.242 0.677 0 C-N-CA 125.544 1.538 . . . . 0.0 111.328 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.51 143.23 34.17 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.383 2.055 . . . . 0.0 108.659 168.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.06 -9.63 11.14 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -171.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -90.77 1.23 57.07 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.33 1.452 . . . . 0.0 114.804 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.0 m -69.61 134.08 48.35 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.936 1.294 . . . . 0.0 109.651 173.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.7 m -110.76 170.09 8.33 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.272 1.029 . . . . 0.0 112.075 175.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -56.97 -41.26 78.03 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.327 1.051 . . . . 0.0 112.161 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -71.39 -34.72 70.64 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.706 0.803 . . . . 0.0 112.313 175.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -58.54 -41.22 85.06 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.753 1.221 . . . . 0.0 110.803 176.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.2 tp -72.97 -40.15 65.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.61 0.764 . . . . 0.0 112.305 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -59.69 -38.14 80.74 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 121.692 -0.63 . . . . 0.0 111.862 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.4 -15.21 61.84 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.953 1.301 . . . . 0.0 113.374 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -90.98 -41.24 11.22 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.237 0.926 . . . . 0.0 112.529 170.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -77.72 -14.68 59.53 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -174.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -7.83 46.8 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -76.92 -17.39 58.95 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.824 0.85 . . . . 0.0 113.037 171.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -95.61 -11.88 26.53 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.584 1.154 . . . . 0.0 113.386 -175.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.84 -149.07 20.24 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 125.003 1.287 . . . . 0.0 112.755 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -87.3 120.75 28.91 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.907 0.883 . . . . 0.0 112.277 -170.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -89.44 131.17 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.534 1.134 . . . . 0.0 109.608 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -85.26 -43.59 13.62 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.685 1.594 . . . . 0.0 110.078 172.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -161.39 147.62 14.29 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.59 1.956 . . . . 0.0 109.315 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.13 132.79 19.9 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.559 1.144 . . . . 0.0 110.221 174.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.8 m -151.19 157.51 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.045 1.338 . . . . 0.0 111.936 -170.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.4 t -115.85 137.16 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 126.148 1.779 . . . . 0.0 108.229 172.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.4 mm -74.91 104.98 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.489 0.662 . . . . 0.0 109.855 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.5 p -123.42 135.45 54.12 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 127.059 2.143 . . . . 0.0 108.941 177.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -60.83 138.08 58.16 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -173.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 35.9 ptt85 -61.93 -19.35 62.62 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.389 1.625 . . . . 0.0 115.389 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -115.18 -31.56 5.96 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.164 1.386 . . . . 0.0 113.589 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.6 p -113.64 -16.64 12.31 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.6 1.56 . . . . 0.0 114.185 -176.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 60.67 13.44 4.3 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.804 2.042 . . . . 0.0 114.012 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.72 132.32 45.19 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.036 -1.04 . . . . 0.0 110.89 176.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.3 t -71.1 139.87 50.48 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.332 -0.855 . . . . 0.0 111.27 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -90.64 2.23 56.08 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.68 9.39 66.47 Favored Glycine 0 N--CA 1.474 1.207 0 C-N-CA 124.567 1.08 . . . . 0.0 114.52 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.435 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 21.4 p90 -149.56 162.25 40.55 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.408 1.483 . . . . 0.0 113.982 178.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.05 -174.21 18.92 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 127.432 2.444 . . . . 0.0 112.521 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -133.92 146.98 51.02 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.909 1.684 . . . . 0.0 111.043 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.88 133.7 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 125.66 1.584 . . . . 0.0 108.182 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 64.8 m -118.59 130.51 55.93 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 172.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 84.5 mmm -99.92 148.15 24.79 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.279 1.032 . . . . 0.0 110.798 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -68.18 -18.34 64.57 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -154.06 150.17 27.93 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.933 1.293 . . . . 0.0 111.93 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -55.92 -32.42 63.76 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.471 1.509 . . . . 0.0 112.631 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.58 -21.93 63.57 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.8 m -86.58 -30.73 21.63 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.895 -1.128 . . . . 0.0 112.038 172.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.98 -35.77 56.95 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -64.61 -36.62 84.85 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.06 0.845 . . . . 0.0 111.691 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -67.36 -24.78 65.74 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.457 1.103 . . . . 0.0 113.142 172.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -82.74 -32.0 28.12 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.954 0.902 . . . . 0.0 113.33 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.1 p -78.79 -3.5 44.72 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -61.98 -26.89 68.48 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -177.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -129.56 111.28 17.68 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 125.628 1.571 . . . . 0.0 109.961 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.66 -15.92 15.09 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 122.918 2.412 . . . . 0.0 113.145 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -130.29 73.01 81.69 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 124.761 1.225 . . . . 0.0 112.415 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.59 -13.46 14.77 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.125 3.216 . . . . 0.0 116.094 -174.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 64.53 58.54 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 C-N-CA 125.902 1.681 . . . . 0.0 111.268 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.2 mt -71.69 119.32 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 O-C-N 121.134 -0.979 . . . . 0.0 109.853 -175.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.4 t0 58.22 25.42 12.59 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.616 1.966 . . . . 0.0 114.047 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.14 32.97 7.14 Favored Glycine 0 CA--C 1.534 1.24 0 N-CA-C 115.583 0.993 . . . . 0.0 115.583 171.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -151.71 143.3 23.57 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 118.553 1.177 . . . . 0.0 109.597 170.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -61.79 103.46 0.35 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.45 0.643 . . . . 0.0 111.921 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.59 164.18 25.58 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.05 1.34 . . . . 0.0 110.778 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -132.06 98.59 4.47 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.364 1.866 . . . . 0.0 108.446 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.4 t -101.0 127.92 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.561 1.544 . . . . 0.0 109.824 -174.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -163.81 157.49 18.96 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.453 1.101 . . . . 0.0 112.585 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.06 147.44 29.57 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.6 -0.687 . . . . 0.0 109.781 169.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.25 -87.27 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -29.35 2.74 0.0 OUTLIER 'General case' 0 CA--C 1.577 2.015 1 N-CA-C 124.624 5.046 . . . . 0.0 124.624 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.1 mt -82.94 -74.62 0.35 Allowed 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 124.349 3.25 . . . . 0.0 112.231 -168.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -89.88 17.53 52.48 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 125.648 1.594 . . . . 0.0 112.507 169.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.0 153.15 44.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.176 1.391 . . . . 0.0 113.133 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -132.73 156.24 80.3 Favored Pre-proline 0 CA--C 1.551 1.006 0 C-N-CA 126.378 1.871 . . . . 0.0 112.137 -169.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -70.68 143.08 45.45 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.298 2.665 . . . . 0.0 111.552 -177.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -104.1 -3.59 24.3 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.767 1.627 . . . . 0.0 112.397 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 37.2 p -146.66 166.36 26.79 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.897 2.479 . . . . 0.0 110.605 -173.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -156.01 158.33 37.66 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.025 1.33 . . . . 0.0 111.371 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.7 p -166.28 -35.62 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 126.153 1.781 . . . . 0.0 112.802 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.617 1.567 . . . . 0.0 111.424 -178.687 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 1 O4'-C1'-N19 115.898 7.698 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.236 0 O4'-C1'-N19 112.184 3.984 . 0.082 5z . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.445 -3.255 . 0.358 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 O4'-C1'-N19 111.378 3.178 . 0.761 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.27 1 C3'-C2'-C1' 105.95 4.945 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 100.725 -1.975 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.5 m -127.41 7.33 6.39 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -170.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.0 m -69.75 139.48 53.32 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.473 1.509 . . . . 0.0 110.637 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -74.57 -0.82 18.96 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -175.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.86 169.75 22.05 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.998 2.119 . . . . 0.0 111.006 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -135.2 112.79 11.21 Favored Pre-proline 0 CA--C 1.545 0.788 0 C-N-CA 125.199 1.4 . . . . 0.0 109.471 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -61.24 135.76 60.22 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.657 2.904 . . . . 0.0 112.631 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.8 p -165.51 137.0 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.801 1.64 . . . . 0.0 109.894 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.7 m -148.25 144.47 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.658 1.583 . . . . 0.0 110.625 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.92 -176.82 48.76 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.56 1.076 . . . . 0.0 114.304 178.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.6 p -99.8 -0.46 39.78 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.44 1.496 . . . . 0.0 113.957 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -143.16 157.83 44.16 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.469 1.908 . . . . 0.0 111.217 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -154.83 170.8 20.81 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.811 1.644 . . . . 0.0 110.926 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 77.5 p -113.88 8.06 17.17 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.603 1.561 . . . . 0.0 113.992 -169.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 45.6 mtt -56.04 -11.56 1.13 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.593 1.557 . . . . 0.0 114.747 174.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -122.13 5.37 9.78 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.73 1.612 . . . . 0.0 113.243 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 73.3 p -139.78 -26.95 0.78 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -174.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -85.22 140.21 31.06 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.749 1.22 . . . . 0.0 110.782 170.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.6 mt -141.22 119.15 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.193 1.397 . . . . 0.0 110.035 -168.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.68 138.19 37.29 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.783 1.633 . . . . 0.0 107.967 167.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.6 t -138.11 92.89 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 123.933 0.893 . . . . 0.0 108.967 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -102.26 -176.8 27.63 Favored Glycine 0 N--CA 1.47 0.94 0 C-N-CA 123.201 0.429 . . . . 0.0 113.141 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.55 19.02 76.04 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 123.617 0.627 . . . . 0.0 113.284 -174.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.6 mt -73.06 144.52 85.08 Favored Pre-proline 0 C--O 1.241 0.635 0 C-N-CA 124.683 1.193 . . . . 0.0 109.447 173.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.94 145.5 56.27 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 121.794 1.663 . . . . 0.0 108.767 169.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -62.5 -11.58 17.1 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -170.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -93.76 -5.34 48.55 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.505 1.522 . . . . 0.0 115.049 176.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.4 m -67.61 131.89 46.49 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.403 1.081 . . . . 0.0 108.83 169.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.1 m -110.34 171.37 7.5 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.264 1.025 . . . . 0.0 112.361 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -55.29 -40.3 70.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.204 1.401 . . . . 0.0 112.033 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -69.76 -40.72 75.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.749 1.22 . . . . 0.0 112.493 174.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -57.64 -43.08 84.61 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.086 1.354 . . . . 0.0 110.632 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.5 tp -72.66 -38.28 67.68 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.734 0.814 . . . . 0.0 112.628 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -61.28 -38.64 87.48 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.559 -0.713 . . . . 0.0 111.627 172.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -76.26 -11.45 59.91 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.58 1.152 . . . . 0.0 113.109 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -89.97 -43.54 10.49 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.932 0.787 . . . . 0.0 112.171 169.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -77.83 -13.28 59.94 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -174.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -7.49 44.07 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -74.61 -18.84 60.5 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.676 0.79 . . . . 0.0 112.732 169.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -94.94 -13.11 25.66 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.815 1.246 . . . . 0.0 113.195 -177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 139.0 -145.54 16.86 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 124.854 1.216 . . . . 0.0 112.793 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -92.17 131.58 37.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.302 1.041 . . . . 0.0 112.436 -170.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.2 mt -106.05 132.86 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.273 1.429 . . . . 0.0 110.09 -176.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.45 -47.58 17.19 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.907 1.283 . . . . 0.0 110.793 169.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -165.31 149.27 8.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.663 1.985 . . . . 0.0 109.373 -175.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.27 141.37 28.54 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.017 1.327 . . . . 0.0 110.453 176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.9 m -149.6 159.12 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.341 1.456 . . . . 0.0 111.764 -172.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.2 t -122.01 137.39 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.13 1.772 . . . . 0.0 108.54 169.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.8 mm -81.9 96.15 3.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 122.32 1.057 . . . . 0.0 110.75 -174.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.2 p -106.15 128.33 53.84 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 126.941 2.097 . . . . 0.0 107.28 168.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.412 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 22.3 t70 -50.39 131.42 24.47 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -170.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -73.69 8.23 2.02 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -174.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -126.0 -31.13 2.9 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.133 2.173 . . . . 0.0 113.184 177.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.9 p -127.03 -15.56 5.29 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 126.788 2.035 . . . . 0.0 114.633 -172.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 62.16 15.81 7.78 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.985 2.114 . . . . 0.0 113.931 -177.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.412 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -66.53 133.68 50.85 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.171 -0.955 . . . . 0.0 110.318 170.295 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 t -79.67 138.44 37.37 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.815 -1.178 . . . . 0.0 111.993 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -90.26 -4.42 57.18 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 173.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.69 15.13 78.57 Favored Glycine 0 N--CA 1.475 1.28 0 CA-C-N 119.405 1.002 . . . . 0.0 114.418 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -143.65 163.25 33.76 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.16 1.384 . . . . 0.0 113.503 173.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.31 -172.56 16.75 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 126.713 2.102 . . . . 0.0 112.807 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -133.32 149.34 51.91 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 125.773 1.629 . . . . 0.0 111.126 175.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.3 t -136.88 136.8 47.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 126.028 1.731 . . . . 0.0 107.943 173.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -123.88 132.4 53.74 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.949 0.9 . . . . 0.0 108.584 175.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 78.9 mmm -101.19 149.66 23.76 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.661 1.184 . . . . 0.0 111.206 -173.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.6 mttp -67.21 -21.86 65.74 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -154.54 152.48 30.11 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.84 1.256 . . . . 0.0 111.952 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -56.78 -30.21 63.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.762 1.225 . . . . 0.0 112.782 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.8 -20.12 63.46 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.8 m -88.67 -35.16 16.94 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.909 -1.119 . . . . 0.0 111.465 169.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.5 -34.67 74.65 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -63.1 -40.47 97.74 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.039 0.836 . . . . 0.0 111.776 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -67.21 -31.49 71.91 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.524 1.129 . . . . 0.0 111.905 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.0 65.35 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.841 0.856 . . . . 0.0 112.897 174.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.6 p -85.36 -4.17 59.07 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -58.41 -26.17 62.96 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.113 1.765 . . . . 0.0 114.258 -172.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -137.27 129.65 16.89 Favored Pre-proline 0 CA--C 1.547 0.842 0 C-N-CA 126.109 1.764 . . . . 0.0 109.58 169.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.79 -14.47 13.93 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.993 2.462 . . . . 0.0 114.09 -173.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -128.52 78.03 76.41 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 124.692 1.197 . . . . 0.0 112.31 -173.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -78.94 -15.38 13.2 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.066 3.177 . . . . 0.0 115.648 -175.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.1 mm 67.25 60.44 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 126.042 1.737 . . . . 0.0 111.402 177.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.8 mt -72.95 119.59 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.282 1.033 . . . . 0.0 110.529 -174.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 t70 61.57 18.22 9.29 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.87 2.068 . . . . 0.0 114.301 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.78 30.88 6.25 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.873 1.225 . . . . 0.0 115.413 174.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -152.19 141.07 21.07 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.346 1.458 . . . . 0.0 109.914 177.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -62.79 104.14 0.51 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.228 0.611 . . . . 0.0 112.323 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.21 165.45 20.45 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.59 1.156 . . . . 0.0 110.804 171.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -137.17 100.27 4.22 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.495 1.518 . . . . 0.0 109.148 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.0 t -93.68 129.6 43.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.936 1.294 . . . . 0.0 110.287 -171.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -144.83 143.08 30.44 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.098 1.359 . . . . 0.0 110.958 -173.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.16 32.52 0.08 Allowed 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.297 1.839 . . . . 0.0 114.48 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 69.46 -79.87 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 127.323 2.249 . . . . 0.0 110.954 -170.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.8 29.93 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.842 0 N-CA-C 120.043 3.349 . . . . 0.0 120.043 -176.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.1 mt -105.48 -85.3 0.49 Allowed 'General case' 0 C--N 1.353 0.747 0 CA-C-N 122.318 2.326 . . . . 0.0 110.659 -169.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.96 21.92 24.89 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.87 1.7 . . . . 0.0 113.137 172.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.23 155.61 27.88 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.473 1.509 . . . . 0.0 113.225 -177.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -132.82 153.98 81.25 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 125.623 1.569 . . . . 0.0 112.491 -170.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -70.85 162.43 42.64 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.346 2.697 . . . . 0.0 111.277 173.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -139.82 120.52 14.3 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.989 1.315 . . . . 0.0 110.401 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 35.7 p -105.22 -16.53 14.75 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 125.642 1.577 . . . . 0.0 113.817 -175.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -76.96 37.06 0.18 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.413 1.485 . . . . 0.0 113.384 -176.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.3 m -153.34 149.88 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 127.57 2.348 . . . . 0.0 110.26 -171.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 . . . . . 0 C--O 1.251 1.182 0 C-N-CA 126.594 1.957 . . . . 0.0 111.206 -178.851 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 1 O4'-C1'-N19 113.132 4.932 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.649 0 O4'-C1'-N19 111.99 3.79 OUTLIER-DELTA 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.24 1 C5'-C4'-C3' 109.119 -4.254 . 0.01 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 O4'-C1'-N19 111.082 2.882 . 0.624 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.46 0 C3'-C2'-C1' 104.961 3.846 . 0.053 4s . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C3'-C2'-C1' 104.349 3.165 . 0.25 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 112.137 -0.385 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.9 m -88.92 -4.74 58.37 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 -177.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.4 t -164.06 160.12 21.3 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 126.925 2.09 . . . . 0.0 110.192 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -163.76 154.06 15.37 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.962 1.705 . . . . 0.0 112.195 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -160.6 159.52 30.59 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.012 1.725 . . . . 0.0 111.021 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.62 -23.5 0.68 Allowed Pre-proline 0 CA--C 1.553 1.085 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 -175.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -68.7 118.56 5.74 Favored 'Trans proline' 0 C--N 1.357 0.979 0 CA-C-N 122.855 2.055 . . . . 0.0 111.358 175.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 80.1 t -146.23 119.77 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.556 1.542 . . . . 0.0 108.547 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.3 p -97.4 -4.64 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 124.664 1.185 . . . . 0.0 113.676 -176.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.35 143.17 16.37 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.213 1.387 . . . . 0.0 112.474 178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.8 m -78.76 -7.96 58.29 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -177.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.99 163.03 9.36 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.279 2.232 . . . . 0.0 111.721 176.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -87.13 -162.78 0.83 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.919 1.688 . . . . 0.0 110.685 171.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.9 p -93.15 -106.58 0.12 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.23 1.412 . . . . 0.0 110.732 -175.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 41.8 ttm 65.46 -62.03 0.23 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 128.815 2.846 . . . . 0.0 113.183 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -76.84 -17.91 58.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.57 1.548 . . . . 0.0 113.022 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.0 p -102.66 -11.95 18.05 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.557 1.543 . . . . 0.0 113.459 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -93.9 127.34 39.61 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.65 0.78 . . . . 0.0 112.089 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.7 mt -128.31 122.54 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.312 1.445 . . . . 0.0 110.033 -168.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -85.34 139.08 31.86 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.478 1.511 . . . . 0.0 108.747 169.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.7 t -136.48 87.27 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.306 1.042 . . . . 0.0 109.592 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -93.27 -176.88 40.49 Favored Glycine 0 N--CA 1.468 0.828 0 C-N-CA 123.665 0.65 . . . . 0.0 113.38 174.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.84 14.05 75.55 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.661 1.124 . . . . 0.0 114.443 -177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.0 mt -71.43 148.09 93.11 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 125.16 1.384 . . . . 0.0 110.376 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -72.35 144.53 41.31 Favored 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 122.145 1.896 . . . . 0.0 108.859 168.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -61.55 -13.75 24.09 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -169.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -85.51 -4.88 59.29 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.1 m -66.75 135.43 53.97 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.899 1.28 . . . . 0.0 109.59 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.9 m -113.47 169.18 9.15 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.18 0.992 . . . . 0.0 112.187 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -55.6 -37.59 68.32 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.657 1.183 . . . . 0.0 112.736 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -65.98 -45.42 81.73 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.072 0.949 . . . . 0.0 111.748 172.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.9 m -57.42 -43.74 84.08 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.437 1.495 . . . . 0.0 111.068 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.6 tp -74.54 -38.13 62.83 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -59.67 -40.46 87.89 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.529 0.604 . . . . 0.0 111.267 172.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -72.85 -14.79 61.58 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.631 1.173 . . . . 0.0 113.318 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -88.98 -42.36 11.83 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.175 0.898 . . . . 0.0 112.063 169.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -79.72 -15.89 56.68 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -6.32 34.91 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -75.84 -17.11 59.94 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.427 -0.795 . . . . 0.0 112.331 169.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -104.96 -20.3 13.58 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.373 1.469 . . . . 0.0 113.127 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.65 -166.27 34.53 Favored Glycine 0 C--N 1.34 0.77 0 N-CA-C 117.732 1.853 . . . . 0.0 117.732 -169.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -96.11 -24.65 16.2 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 117.713 2.486 . . . . 0.0 117.713 -167.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.0 mt 58.37 117.23 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 C-N-CA 129.337 3.055 . . . . 0.0 115.883 175.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -72.25 -45.03 61.9 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.326 1.45 . . . . 0.0 111.437 168.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -163.1 144.56 9.78 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.841 2.056 . . . . 0.0 108.696 -175.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.24 140.35 32.24 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.008 1.323 . . . . 0.0 110.008 172.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.1 m -153.36 159.86 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.191 1.396 . . . . 0.0 112.015 -170.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.7 t -128.1 132.18 68.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 125.476 1.51 . . . . 0.0 107.425 168.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 24.5 mm -81.76 114.05 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 124.063 0.945 . . . . 0.0 111.859 -168.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.2 p -122.36 131.51 53.93 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.659 1.984 . . . . 0.0 109.422 173.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.16 138.22 45.14 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -172.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -55.18 -26.35 38.4 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -116.91 -41.36 3.04 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.991 1.317 . . . . 0.0 112.792 -173.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.4 p -98.3 -15.92 19.58 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 60.74 15.34 5.77 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.171 1.788 . . . . 0.0 113.062 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.21 132.95 48.8 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.161 -0.962 . . . . 0.0 110.158 174.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.0 t -73.39 136.84 44.38 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.579 -0.7 . . . . 0.0 110.3 173.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -85.45 -2.2 57.86 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 172.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.16 11.72 83.23 Favored Glycine 0 N--CA 1.471 1.002 0 CA-C-N 119.031 0.832 . . . . 0.0 113.971 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -138.62 158.32 44.46 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 124.657 1.183 . . . . 0.0 114.06 174.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.4 -172.9 13.97 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 127.315 2.388 . . . . 0.0 112.207 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -135.8 151.93 50.57 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 125.446 1.498 . . . . 0.0 110.689 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.6 t -137.78 131.29 42.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 125.487 1.515 . . . . 0.0 107.983 169.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.6 m -115.12 129.42 56.67 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 78.2 mmm -96.3 149.63 21.46 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.508 1.123 . . . . 0.0 111.198 -175.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -70.67 -24.48 62.69 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -146.25 157.12 43.79 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.928 0.891 . . . . 0.0 113.247 174.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -60.15 -27.15 66.85 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.346 -0.846 . . . . 0.0 112.564 174.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.12 -19.92 64.04 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 174.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.41 -31.66 14.54 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.079 -1.013 . . . . 0.0 112.074 169.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.41 86.87 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.198 -0.938 . . . . 0.0 113.242 173.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.55 -37.62 88.19 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.51 0.595 . . . . 0.0 111.873 174.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -68.22 -34.01 75.46 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.69 1.196 . . . . 0.0 112.388 173.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.83 -29.85 61.19 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.8 p -83.13 -2.57 55.79 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.953 1.464 . . . . 0.0 114.953 -178.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -62.46 -25.5 68.02 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -175.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -126.92 110.64 22.03 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.307 1.443 . . . . 0.0 109.882 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -78.11 -15.79 14.39 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.01 2.473 . . . . 0.0 113.079 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -134.1 71.37 73.23 Favored Pre-proline 0 CA--C 1.554 1.127 0 C-N-CA 125.243 1.417 . . . . 0.0 111.911 -176.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -77.21 -12.47 17.35 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 124.276 3.317 . . . . 0.0 116.31 -172.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.4 mm 64.24 56.33 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 125.907 1.683 . . . . 0.0 111.291 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.8 mt -71.5 118.17 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 121.096 -1.003 . . . . 0.0 110.044 -174.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.01 20.87 9.97 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.611 1.964 . . . . 0.0 114.454 176.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.85 35.14 4.95 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.746 1.165 . . . . 0.0 115.415 171.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.2 ttt85 -152.82 142.88 22.3 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.522 1.161 . . . . 0.0 109.893 170.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.51 103.59 0.43 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.474 0.654 . . . . 0.0 111.607 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.69 166.45 22.97 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.196 0.999 . . . . 0.0 110.607 172.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -132.84 108.86 9.23 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.651 1.58 . . . . 0.0 108.535 177.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.3 t -109.94 122.4 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.906 1.282 . . . . 0.0 109.901 -173.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -163.03 168.27 21.24 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.52 1.528 . . . . 0.0 111.727 173.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.68 155.4 15.85 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.436 -0.79 . . . . 0.0 111.519 177.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.11 -90.51 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 125.613 1.565 . . . . 0.0 114.983 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -31.09 7.52 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.032 1 N-CA-C 123.819 4.748 . . . . 0.0 123.819 174.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.8 mt -90.39 -77.79 0.39 Allowed 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 124.451 3.296 . . . . 0.0 112.26 -169.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -84.28 17.94 25.95 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.469 1.509 . . . . 0.0 112.761 172.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.63 147.98 51.98 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.643 1.577 . . . . 0.0 112.941 -174.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -107.25 150.65 40.22 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 125.549 1.54 . . . . 0.0 112.275 -174.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -73.2 144.66 37.68 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.225 2.617 . . . . 0.0 111.345 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -131.35 15.92 5.0 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.076 1.75 . . . . 0.0 111.735 178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.3 p -151.13 171.4 17.43 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 129.002 2.921 . . . . 0.0 109.572 -171.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -62.9 130.52 45.17 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.08 0.552 . . . . 0.0 111.549 175.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 16.4 m -146.45 146.93 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 126.401 1.88 . . . . 0.0 110.27 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.973 1.709 . . . . 0.0 111.565 -175.114 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 1 C3'-C2'-C1' 105.632 4.591 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.361 0 O4'-C1'-N19 111.819 3.619 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C5'-C4'-C3' 110.704 -3.197 . 0.578 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.237 0 O4'-C1'-N19 111.28 3.08 . 0.772 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 1 C3'-C2'-C1' 106.171 5.19 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.82 0 O5'-C5'-C4' 113.597 2.426 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.437 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.0 m -78.69 2.94 17.87 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -169.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.0 t -160.94 158.34 27.95 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.17 1.788 . . . . 0.0 110.88 -174.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -77.29 -10.25 59.32 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 123.794 0.837 . . . . 0.0 112.855 169.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.21 72.9 7.06 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.273 1.429 . . . . 0.0 111.48 178.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -159.17 148.83 14.87 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.96 1.704 . . . . 0.0 110.719 -176.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.84 143.0 29.11 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.434 2.756 . . . . 0.0 111.375 -176.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.4 p -70.94 -15.6 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -176.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.4 p -164.19 144.41 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 126.1 1.76 . . . . 0.0 110.349 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.69 -179.3 47.78 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.581 1.086 . . . . 0.0 113.513 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.8 m 59.16 55.95 4.12 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.657 1.183 . . . . 0.0 112.439 173.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 tpp85 -146.29 124.51 12.21 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.292 1.437 . . . . 0.0 110.097 -177.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 55.59 -160.22 0.19 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.295 1.838 . . . . 0.0 112.381 -173.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.4 p -85.47 1.04 50.46 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.291 1.436 . . . . 0.0 113.388 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 50.5 ttm -55.65 -19.21 9.8 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.834 2.054 . . . . 0.0 114.481 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -125.1 12.14 8.28 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.063 1.345 . . . . 0.0 113.344 -176.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.6 p -133.48 -28.18 1.48 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.08 1.352 . . . . 0.0 113.331 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -82.73 148.16 28.03 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.326 1.45 . . . . 0.0 111.731 173.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.3 mt -147.76 124.08 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.859 1.664 . . . . 0.0 109.772 -169.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -86.01 140.63 30.12 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.247 1.419 . . . . 0.0 108.423 167.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.04 88.61 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.215 1.006 . . . . 0.0 109.493 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.41 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -94.56 -177.05 38.58 Favored Glycine 0 N--CA 1.468 0.813 0 C-N-CA 123.711 0.672 . . . . 0.0 113.431 173.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.77 16.21 72.02 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 123.938 0.78 . . . . 0.0 113.493 -176.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.97 142.23 85.09 Favored Pre-proline 0 C--O 1.24 0.557 0 C-N-CA 124.355 1.062 . . . . 0.0 109.501 175.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.65 141.24 54.2 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 C-N-CA 121.791 1.661 . . . . 0.0 108.802 169.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -59.41 -15.19 15.37 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -169.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -88.23 -1.1 57.82 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.468 1.507 . . . . 0.0 114.987 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.0 m -66.29 127.33 31.81 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.796 1.238 . . . . 0.0 109.379 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.6 p -94.53 166.67 11.93 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.99 0.9 . . . . 0.0 112.673 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -56.81 -36.85 70.41 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.465 1.106 . . . . 0.0 111.455 173.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -72.75 -40.16 66.26 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.086 0.954 . . . . 0.0 112.54 173.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.2 m -57.23 -41.31 79.28 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 119.364 0.984 . . . . 0.0 110.62 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.4 tp -73.33 -40.18 64.67 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -59.85 -39.05 83.89 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.383 -0.823 . . . . 0.0 111.765 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -76.79 -10.48 59.4 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.224 1.409 . . . . 0.0 112.783 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -92.46 -44.7 8.52 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.802 0.728 . . . . 0.0 112.072 169.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -75.72 -13.48 60.31 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -174.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -7.4 38.08 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -73.95 -19.72 60.59 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.695 0.798 . . . . 0.0 112.937 170.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -93.71 -15.61 25.07 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.632 1.173 . . . . 0.0 113.014 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.6 -153.75 24.3 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.499 1.523 . . . . 0.0 112.687 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -86.32 137.78 32.33 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.338 1.055 . . . . 0.0 112.339 -171.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.3 mt -110.25 129.07 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 125.17 1.388 . . . . 0.0 110.58 -173.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -73.86 -46.89 42.02 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.853 1.261 . . . . 0.0 111.064 169.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -163.51 146.3 10.0 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.62 1.968 . . . . 0.0 109.146 -175.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.72 136.43 23.12 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.094 1.358 . . . . 0.0 109.881 173.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.5 m -150.8 157.63 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.085 1.354 . . . . 0.0 111.847 -169.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.2 t -121.5 133.1 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.95 1.7 . . . . 0.0 108.265 170.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.6 mm -77.82 110.5 13.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 C-N-CA 123.324 0.65 . . . . 0.0 110.601 -172.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.6 p -116.44 139.89 49.95 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.253 1.821 . . . . 0.0 109.094 170.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.75 132.05 52.64 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -175.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.493 ' HG2' ' C6 ' ' B' ' 12' ' ' ' C' . 28.5 mmm180 -61.53 -17.81 56.42 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -178.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -106.21 -30.81 8.98 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.789 1.636 . . . . 0.0 113.091 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.2 p -127.25 -13.69 5.53 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.703 1.601 . . . . 0.0 114.458 -173.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 60.89 17.61 7.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.204 2.202 . . . . 0.0 113.476 -176.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.35 134.98 49.73 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.113 -0.992 . . . . 0.0 110.675 173.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 m -79.95 133.5 36.2 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.968 0.907 . . . . 0.0 111.684 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -83.05 -6.95 59.69 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.92 5.4 77.45 Favored Glycine 0 N--CA 1.476 1.325 0 C-N-CA 124.722 1.153 . . . . 0.0 114.295 -177.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.41 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 43.4 p90 -143.03 161.78 37.22 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.932 1.293 . . . . 0.0 114.045 177.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.4 -174.05 16.32 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 127.092 2.282 . . . . 0.0 112.364 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -136.42 151.21 49.27 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.794 1.637 . . . . 0.0 111.08 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.3 t -139.18 141.73 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 126.17 1.788 . . . . 0.0 108.267 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.2 m -131.82 132.75 44.0 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.172 0.989 . . . . 0.0 108.895 174.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 80.5 mmm -102.47 145.4 29.62 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.701 1.2 . . . . 0.0 111.423 -172.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -67.98 -23.9 65.08 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -175.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -141.22 146.33 36.75 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 125.703 1.601 . . . . 0.0 110.929 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -54.9 -43.11 72.94 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.475 1.11 . . . . 0.0 112.472 -174.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.7 -14.07 62.78 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.6 m -82.78 -34.56 27.02 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.284 -0.885 . . . . 0.0 111.511 170.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.93 -33.76 66.14 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 121.171 -0.955 . . . . 0.0 112.277 171.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.13 -39.59 86.82 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.262 0.625 . . . . 0.0 111.847 171.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -68.07 -38.57 82.57 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.691 0.796 . . . . 0.0 112.251 172.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.81 -39.86 72.82 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.6 p -75.11 -11.05 60.0 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -64.05 -26.91 68.77 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.379 1.472 . . . . 0.0 113.763 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -114.06 109.68 49.3 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.513 1.525 . . . . 0.0 109.521 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.08 -16.09 15.98 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.929 2.419 . . . . 0.0 113.151 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -139.64 77.37 28.15 Favored Pre-proline 0 CA--C 1.552 1.03 0 C-N-CA 125.025 1.33 . . . . 0.0 111.714 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.24 -11.8 14.52 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 124.181 3.254 . . . . 0.0 116.154 -171.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.3 mm 65.18 54.85 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 125.448 1.499 . . . . 0.0 111.651 176.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 71.9 mt -69.25 121.13 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.543 1.137 . . . . 0.0 110.397 -174.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.96 19.51 9.9 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.902 2.081 . . . . 0.0 114.192 -178.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.7 25.78 14.58 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.469 1.033 . . . . 0.0 114.928 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -144.7 136.43 25.7 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.488 1.515 . . . . 0.0 109.78 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -64.75 102.58 0.6 Allowed 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -173.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.53 168.14 19.82 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.947 1.299 . . . . 0.0 110.821 169.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -138.63 109.26 6.6 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.731 1.613 . . . . 0.0 108.882 -174.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 81.9 t -108.68 133.91 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.167 1.387 . . . . 0.0 110.804 -169.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -158.02 166.73 31.81 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.844 1.258 . . . . 0.0 112.529 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.0 mt -74.99 18.15 0.19 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.99 1.716 . . . . 0.0 115.488 -174.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 74.79 -65.97 0.32 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 127.23 2.212 . . . . 0.0 112.86 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -53.66 13.38 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.842 0 N-CA-C 120.926 3.676 . . . . 0.0 120.926 -172.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.95 -63.45 1.13 Allowed 'General case' 0 C--N 1.352 0.674 0 CA-C-N 123.344 2.793 . . . . 0.0 110.987 -167.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.01 16.69 60.81 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 126.021 1.772 . . . . 0.0 113.635 170.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.12 140.98 47.77 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.842 1.657 . . . . 0.0 113.547 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -97.45 152.24 38.1 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.48 1.112 . . . . 0.0 111.631 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.02 144.0 46.24 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.195 2.597 . . . . 0.0 110.258 170.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -147.3 127.77 14.07 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.925 1.69 . . . . 0.0 108.401 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.0 t -163.0 154.95 18.07 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.064 1.346 . . . . 0.0 111.617 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -129.72 16.82 5.82 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.045 1.738 . . . . 0.0 111.449 169.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 27.2 m -143.39 159.25 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 125.566 1.546 . . . . 0.0 112.135 -170.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 126.138 1.775 . . . . 0.0 111.296 -178.932 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 1 O4'-C1'-N19 113.062 4.862 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.392 1 O4'-C1'-N19 112.848 4.648 . 0.012 5z . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.19 1 O4'-C1'-N19 112.338 4.138 . 0.071 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.415 2 O4'-C1'-N19 114.303 6.103 . 0.378 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.547 2.867 1 O5'-C5'-C4' 116.224 4.303 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.493 ' C6 ' ' HG2' ' A' ' 70' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.471 1 C3'-C2'-C1' 105.508 4.453 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.523 0 N-CA-C 111.861 -0.495 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 87.6 p -164.25 169.03 18.12 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.404 1.482 . . . . 0.0 111.724 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t -161.74 154.8 20.7 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.796 1.638 . . . . 0.0 110.8 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -83.37 48.75 1.44 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.294 1.438 . . . . 0.0 112.186 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.71 150.77 21.32 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.075 1.75 . . . . 0.0 111.461 -175.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -162.7 135.31 4.24 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.398 1.479 . . . . 0.0 109.86 -175.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -70.93 143.46 45.27 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.339 2.693 . . . . 0.0 111.057 177.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 p -73.23 -7.88 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -173.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.0 t 78.01 125.04 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 128.632 2.773 . . . . 0.0 110.244 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.61 11.9 83.52 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 123.923 0.773 . . . . 0.0 113.023 -169.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 m -57.07 136.93 56.36 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.586 1.954 . . . . 0.0 112.772 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -108.87 12.63 25.36 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.039 1.336 . . . . 0.0 113.012 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -93.94 152.73 18.63 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.02 1.728 . . . . 0.0 112.855 -169.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.8 p -86.14 0.54 53.34 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.827 1.651 . . . . 0.0 113.479 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 94.4 mtp -53.59 -20.75 5.5 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.473 1.509 . . . . 0.0 113.533 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -112.78 4.39 16.99 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.688 1.595 . . . . 0.0 113.386 -175.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.0 p -132.43 -24.22 2.05 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.396 1.478 . . . . 0.0 113.74 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -88.54 128.31 35.56 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.742 1.617 . . . . 0.0 110.592 175.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.0 mt -127.92 119.41 51.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.972 1.709 . . . . 0.0 109.494 -168.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -81.8 134.12 35.4 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.1 1.36 . . . . 0.0 108.176 169.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.31 92.06 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.767 0.827 . . . . 0.0 109.55 -176.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.4 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -100.36 -173.93 29.88 Favored Glycine 0 N--CA 1.466 0.673 0 C-N-CA 123.87 0.748 . . . . 0.0 113.778 177.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.03 15.56 67.45 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.345 0.974 . . . . 0.0 113.905 -175.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -72.22 146.51 89.65 Favored Pre-proline 0 C--O 1.24 0.577 0 C-N-CA 124.479 1.112 . . . . 0.0 110.27 178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.06 145.59 44.96 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.115 1.877 . . . . 0.0 108.642 168.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -63.59 -10.03 16.43 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -171.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -95.08 -4.01 47.1 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.598 1.559 . . . . 0.0 115.039 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.4 m -66.63 130.47 43.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.485 1.114 . . . . 0.0 109.434 169.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -100.94 167.65 10.13 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.378 1.071 . . . . 0.0 111.699 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -60.91 -29.17 69.43 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.041 -1.037 . . . . 0.0 112.4 173.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -70.15 -44.61 68.47 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.47 0.708 . . . . 0.0 111.432 171.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -57.19 -44.43 83.59 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.531 1.532 . . . . 0.0 110.769 177.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.6 tp -73.86 -37.85 64.65 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.42 0.688 . . . . 0.0 112.73 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -60.15 -41.39 92.65 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.742 0.701 . . . . 0.0 111.195 172.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -65.59 -37.41 86.56 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.82 0.848 . . . . 0.0 112.134 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -69.01 -30.05 68.37 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -86.47 -7.03 58.74 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -175.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -67.08 -16.96 64.67 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.636 1.107 . . . . 0.0 113.245 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -74.32 -15.17 60.96 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.52 1.128 . . . . 0.0 113.31 177.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -97.67 -14.6 20.83 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.437 1.095 . . . . 0.0 113.343 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.89 -144.78 16.85 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.371 0.986 . . . . 0.0 113.34 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -89.32 119.45 29.8 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.341 1.056 . . . . 0.0 112.074 -169.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.5 mt -91.33 131.24 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.451 1.1 . . . . 0.0 109.484 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -94.1 -35.79 12.39 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.119 1.767 . . . . 0.0 111.548 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -164.31 150.91 11.19 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.311 1.844 . . . . 0.0 109.35 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.33 138.91 19.61 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.607 1.163 . . . . 0.0 110.667 175.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.2 m -151.14 158.85 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.961 1.704 . . . . 0.0 111.231 -173.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.5 t -128.79 133.24 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.396 1.478 . . . . 0.0 107.863 169.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.45 HG13 ' CE1' ' A' ' 78' ' ' TYR . 29.0 mm -78.86 117.59 24.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 123.657 0.783 . . . . 0.0 110.678 -171.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.3 p -120.28 134.0 55.35 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.5 1.92 . . . . 0.0 107.924 169.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.433 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 8.4 t0 -57.74 132.34 53.0 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -169.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.55 -17.99 61.09 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -104.36 -28.79 11.16 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.767 1.627 . . . . 0.0 113.08 -175.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.3 p -134.72 -12.93 2.26 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 -170.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 59.68 15.4 4.68 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.826 2.051 . . . . 0.0 113.999 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -69.96 140.41 52.99 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.153 -0.967 . . . . 0.0 110.284 171.226 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.4 m -72.64 133.97 44.9 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.331 -0.856 . . . . 0.0 111.733 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -84.98 -4.15 59.04 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.7 2.11 90.61 Favored Glycine 0 N--CA 1.474 1.171 0 C-N-CA 124.89 1.233 . . . . 0.0 114.02 -176.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.45 ' CE1' HG13 ' A' ' 67' ' ' ILE . 30.0 p90 -143.87 161.98 37.26 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.715 1.206 . . . . 0.0 114.193 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.11 -171.31 12.33 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 127.334 2.397 . . . . 0.0 111.949 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -134.41 148.46 50.65 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 125.46 1.504 . . . . 0.0 110.696 176.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.0 t -135.38 136.46 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.251 1.42 . . . . 0.0 107.865 171.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 59.3 m -119.8 135.72 54.74 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 174.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 85.4 mmm -104.13 142.16 34.97 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.291 1.037 . . . . 0.0 110.451 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -60.03 -21.56 61.52 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -153.37 152.29 30.91 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.882 1.273 . . . . 0.0 111.692 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -56.98 -29.02 62.9 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.156 1.382 . . . . 0.0 112.656 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.63 -21.41 65.38 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.1 m -90.79 -30.06 17.23 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.247 -0.908 . . . . 0.0 111.909 172.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.8 -34.57 62.42 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.887 -1.133 . . . . 0.0 113.228 175.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -65.34 -31.87 73.22 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.583 -0.698 . . . . 0.0 112.173 174.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -71.13 -34.4 71.01 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.479 1.112 . . . . 0.0 112.27 171.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.97 -30.57 66.88 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.0 p -77.99 -4.13 45.48 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -65.14 -23.3 67.09 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -128.84 105.61 18.49 Favored Pre-proline 0 CA--C 1.544 0.748 0 C-N-CA 125.055 1.342 . . . . 0.0 109.535 171.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.5 -14.4 12.95 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.132 2.554 . . . . 0.0 113.169 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -136.71 73.86 53.43 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.634 1.174 . . . . 0.0 111.169 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -78.21 -10.8 16.32 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 124.318 3.345 . . . . 0.0 116.365 -169.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.2 mm 64.73 55.31 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.293 1.437 . . . . 0.0 111.255 178.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.2 mt -67.2 120.23 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.332 1.053 . . . . 0.0 110.155 -175.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.7 21.4 10.13 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.781 2.032 . . . . 0.0 114.143 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.17 26.07 11.78 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.634 1.111 . . . . 0.0 115.238 174.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -146.35 135.94 23.11 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.002 1.321 . . . . 0.0 109.853 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.98 103.17 0.56 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.55 0.74 . . . . 0.0 112.807 -173.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.66 172.63 13.5 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.723 1.209 . . . . 0.0 110.993 173.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -140.94 109.06 5.76 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.318 1.847 . . . . 0.0 108.676 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.4 t -110.69 124.13 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 125.764 1.626 . . . . 0.0 109.324 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -162.32 160.53 26.8 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.315 1.046 . . . . 0.0 112.815 172.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.6 mt -52.95 148.1 8.25 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.039 0.936 . . . . 0.0 110.681 171.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -48.75 -85.05 0.0 OUTLIER 'General case' 0 CA--C 1.562 1.409 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -32.71 5.64 0.0 OUTLIER 'General case' 0 CA--C 1.577 2.015 1 N-CA-C 123.95 4.796 . . . . 0.0 123.95 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.7 mt -88.08 -76.35 0.39 Allowed 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 124.601 3.364 . . . . 0.0 112.666 -168.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -84.52 12.06 56.97 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.149 1.357 . . . . 0.0 112.655 171.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.78 145.22 55.41 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.665 1.586 . . . . 0.0 112.886 -176.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -102.08 157.44 33.69 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 125.266 1.426 . . . . 0.0 112.761 -170.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -52.52 139.51 56.36 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 124.338 3.358 . . . . 0.0 112.701 170.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -159.91 121.64 3.25 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.09 1.356 . . . . 0.0 109.317 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 39.6 p -119.22 -8.08 10.18 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -169.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -76.46 32.51 0.13 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 124.984 1.314 . . . . 0.0 113.904 -175.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 9.0 p -170.97 139.11 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 127.867 2.467 . . . . 0.0 109.534 -174.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 125.935 1.694 . . . . 0.0 111.394 -179.385 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 1 C3'-C2'-C1' 105.565 4.517 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.191 1 O4'-C1'-N19 112.355 4.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 O4'-C1'-N19 111.59 3.39 . 0.524 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.375 0 O4'-C1'-N19 110.957 2.757 . 0.684 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.629 1 C3'-C2'-C1' 106.111 5.123 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.662 0 C3'-C2'-C1' 105.025 3.917 . 0.043 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.8 p -84.52 -12.13 54.79 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 t -164.71 167.83 18.62 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.832 2.053 . . . . 0.0 110.441 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -65.61 130.06 41.97 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.425 1.09 . . . . 0.0 111.72 177.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -161.05 160.96 31.16 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.75 1.62 . . . . 0.0 111.778 -176.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -145.17 151.33 47.96 Favored Pre-proline 0 CA--C 1.543 0.706 0 C-N-CA 126.266 1.826 . . . . 0.0 109.659 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -76.54 44.03 1.32 Allowed 'Trans proline' 0 CA--C 1.548 1.208 0 C-N-CA 124.581 3.521 . . . . 0.0 112.538 -176.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.6 p -172.16 132.37 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 127.528 2.331 . . . . 0.0 109.019 -173.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.7 t -146.69 131.33 11.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.312 1.445 . . . . 0.0 109.244 -177.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 153.95 115.69 0.58 Allowed Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.84 1.21 . . . . 0.0 112.607 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 t -170.51 177.18 4.1 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.562 1.945 . . . . 0.0 110.555 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -71.72 130.77 41.94 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.152 0.981 . . . . 0.0 109.865 173.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -162.02 146.65 12.68 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.182 1.393 . . . . 0.0 111.942 -174.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.2 p -140.66 -12.73 1.0 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.503 1.921 . . . . 0.0 113.14 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.1 mmt -68.12 -31.95 71.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.64 1.109 . . . . 0.0 112.794 -173.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -112.6 9.93 19.44 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.659 1.184 . . . . 0.0 112.998 -174.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.7 p -131.79 -23.83 2.24 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.699 1.599 . . . . 0.0 113.376 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 tttp -95.71 133.24 40.04 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.949 0.9 . . . . 0.0 111.646 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.0 mt -129.17 122.95 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 C-N-CA 126.152 1.781 . . . . 0.0 109.288 -168.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -87.04 137.69 32.13 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.121 1.369 . . . . 0.0 108.032 168.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.3 t -137.37 94.35 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 123.939 0.895 . . . . 0.0 109.646 -175.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.73 -174.45 28.15 Favored Glycine 0 N--CA 1.467 0.738 0 C-N-CA 123.325 0.488 . . . . 0.0 113.334 173.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.06 14.44 73.59 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.14 0.876 . . . . 0.0 114.149 -174.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.5 mt -70.66 144.08 90.68 Favored Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 124.68 1.192 . . . . 0.0 110.106 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -70.43 144.43 50.46 Favored 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.311 2.007 . . . . 0.0 109.245 169.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.4 m-30 -63.31 -10.43 16.23 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -170.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -89.72 -1.02 57.9 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.298 1.439 . . . . 0.0 114.77 174.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.6 m -68.21 137.7 55.01 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.12 1.368 . . . . 0.0 109.38 171.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 60.5 p -112.44 169.59 8.77 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.75 0.82 . . . . 0.0 112.583 174.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.56 -36.83 67.25 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.618 1.167 . . . . 0.0 111.613 173.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -68.32 -43.17 78.18 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.28 1.432 . . . . 0.0 111.948 173.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.9 m -59.93 -47.3 86.36 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.342 1.057 . . . . 0.0 110.818 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.9 tp -73.11 -34.95 66.46 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -59.82 -43.99 94.24 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.641 0.655 . . . . 0.0 110.805 170.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -69.33 -37.06 77.54 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.477 0.711 . . . . 0.0 112.107 -175.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -65.66 -31.12 71.97 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 177.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -86.91 -6.52 58.75 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -176.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.77 -16.92 64.35 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.684 1.129 . . . . 0.0 113.053 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -71.75 -14.58 62.05 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.233 1.013 . . . . 0.0 113.277 175.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -99.56 -13.68 19.33 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.625 1.17 . . . . 0.0 113.411 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.64 -147.47 19.15 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.357 0.979 . . . . 0.0 113.322 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -84.32 129.01 34.91 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.064 0.945 . . . . 0.0 112.602 -172.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.5 mt -105.01 126.91 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.958 1.303 . . . . 0.0 109.44 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -82.25 -44.79 15.86 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.958 1.703 . . . . 0.0 110.309 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -165.11 150.65 9.6 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.797 2.039 . . . . 0.0 109.382 176.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.63 144.47 27.22 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.646 1.178 . . . . 0.0 111.273 176.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.6 m -150.44 159.09 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.261 1.424 . . . . 0.0 112.171 -173.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.0 t -123.45 134.13 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 126.213 1.805 . . . . 0.0 108.384 169.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mm -81.03 110.26 16.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 C-N-CA 124.71 1.204 . . . . 0.0 110.689 -172.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.9 p -110.71 141.09 44.46 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 126.268 1.827 . . . . 0.0 109.225 170.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -64.58 135.77 56.33 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -170.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.31 -19.45 8.63 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 116.755 2.132 . . . . 0.0 116.755 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -125.65 -32.31 2.87 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.138 1.375 . . . . 0.0 113.738 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.8 p -107.38 -16.3 14.42 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 125.186 1.395 . . . . 0.0 114.009 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 61.35 10.42 3.09 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.95 2.1 . . . . 0.0 114.069 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 142.58 47.5 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.023 -1.048 . . . . 0.0 110.679 173.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.8 t -66.44 137.52 56.9 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.189 -0.944 . . . . 0.0 111.09 174.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.0 mtt-85 -92.65 3.81 54.86 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.15 0.98 . . . . 0.0 113.349 177.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.81 11.76 76.17 Favored Glycine 0 N--CA 1.472 1.052 0 C-N-CA 124.411 1.005 . . . . 0.0 114.247 176.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -146.37 164.79 31.3 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -155.22 -175.42 26.25 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 127.461 2.457 . . . . 0.0 112.095 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -136.03 147.94 48.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.696 1.599 . . . . 0.0 110.766 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.4 t -137.28 133.66 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 125.787 1.635 . . . . 0.0 108.183 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.7 m -119.6 125.35 48.56 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 82.4 mmm -97.44 145.16 26.45 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.346 1.058 . . . . 0.0 110.47 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -67.91 -20.94 65.14 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -175.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -147.65 151.23 35.82 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.37 1.468 . . . . 0.0 111.225 177.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -51.93 -38.42 56.31 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.372 1.069 . . . . 0.0 112.191 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.94 -16.95 62.69 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.8 m -84.53 -30.86 24.76 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.362 -0.836 . . . . 0.0 111.724 170.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.38 -35.04 65.85 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.937 -1.102 . . . . 0.0 112.395 171.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -57.2 -39.54 75.59 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.007 0.923 . . . . 0.0 111.638 170.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -70.88 -31.67 68.41 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.858 0.863 . . . . 0.0 112.686 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.69 -33.49 64.45 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 10.3 p -78.75 -4.26 48.41 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.827 1.418 . . . . 0.0 114.827 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -62.55 -25.72 68.2 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -132.87 108.21 12.83 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 125.531 1.532 . . . . 0.0 109.735 174.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.5 -13.12 16.7 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.963 2.442 . . . . 0.0 113.142 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -133.12 73.22 75.2 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 124.475 1.11 . . . . 0.0 111.819 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.11 -10.64 13.77 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 124.256 3.304 . . . . 0.0 116.15 -170.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.2 mm 65.23 59.34 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 125.812 1.645 . . . . 0.0 111.265 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.7 mt -71.39 120.32 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 124.302 1.041 . . . . 0.0 109.886 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.7 t0 57.05 29.25 16.16 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.324 1.85 . . . . 0.0 113.736 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.99 28.18 14.39 Favored Glycine 0 CA--C 1.534 1.263 0 N-CA-C 115.68 1.032 . . . . 0.0 115.68 171.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -152.25 140.44 20.36 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.816 1.246 . . . . 0.0 109.649 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.35 102.58 0.42 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.521 0.728 . . . . 0.0 112.662 -174.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -77.97 170.68 16.2 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.566 1.146 . . . . 0.0 110.518 171.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -145.19 99.15 3.27 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.979 1.712 . . . . 0.0 108.306 -172.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 87.6 t -107.33 126.97 63.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 126.127 1.771 . . . . 0.0 110.196 -168.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -163.59 163.18 24.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.962 1.305 . . . . 0.0 112.231 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.35 150.76 14.14 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.586 -0.696 . . . . 0.0 110.661 173.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -50.48 -88.89 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.362 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -34.74 10.13 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.037 1 N-CA-C 123.323 4.564 . . . . 0.0 123.323 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.7 mt -89.42 -79.95 0.31 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 124.477 3.308 . . . . 0.0 112.816 -168.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.37 18.72 12.94 Favored Glycine 0 N--CA 1.473 1.158 0 C-N-CA 125.288 1.423 . . . . 0.0 112.463 171.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.51 147.39 49.41 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.993 1.717 . . . . 0.0 113.195 -173.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -68.31 154.99 93.4 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 124.951 1.3 . . . . 0.0 110.908 169.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.93 118.62 5.79 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.123 2.549 . . . . 0.0 109.993 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -91.32 1.5 57.07 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.087 0.955 . . . . 0.0 113.5 -170.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.6 p -57.4 -14.82 5.25 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.949 2.1 . . . . 0.0 114.514 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -62.5 -18.37 61.74 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.942 1.297 . . . . 0.0 113.555 169.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 17.6 m -132.15 139.81 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.516 1.526 . . . . 0.0 110.383 172.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 . . . . . 0 C--O 1.253 1.28 0 C-N-CA 126.12 1.768 . . . . 0.0 111.296 -172.686 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 1 C3'-C2'-C1' 105.129 4.032 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 O4'-C1'-N19 111.579 3.379 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.104 0 C5'-C4'-C3' 111.187 -2.875 . 0.384 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.281 1 O4'-C1'-N19 113.201 5.001 . 0.733 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 1 C3'-C2'-C1' 105.552 4.502 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.328 1 C3'-C2'-C1' 105.459 4.399 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.559 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.7 p -94.47 -5.79 45.38 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -175.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.2 m -64.19 126.83 28.99 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.685 1.594 . . . . 0.0 110.934 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -71.58 129.47 38.82 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.543 0.737 . . . . 0.0 111.386 176.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -138.62 20.33 2.71 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.824 1.65 . . . . 0.0 112.597 178.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.43 137.81 83.73 Favored Pre-proline 0 CA--C 1.547 0.852 0 O-C-N 120.765 -1.21 . . . . 0.0 111.458 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -71.28 155.47 60.54 Favored 'Trans proline' 0 C--N 1.352 0.761 0 C-N-CA 123.738 2.959 . . . . 0.0 110.767 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.258 7.5 p -85.55 45.71 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 CA-C-O 122.444 1.116 . . . . 0.0 112.014 -170.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.7 t 65.42 97.06 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 128.422 2.689 . . . . 0.0 111.077 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.54 -53.16 4.23 Favored Glycine 0 N--CA 1.47 0.946 0 C-N-CA 125.199 1.381 . . . . 0.0 112.756 -178.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 65.1 m -65.46 116.0 6.29 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.903 1.281 . . . . 0.0 111.216 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -156.03 13.64 0.32 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.225 1.41 . . . . 0.0 113.763 -169.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.08 120.52 8.17 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.139 1.776 . . . . 0.0 111.866 -173.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 p 66.47 -7.48 0.43 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 128.53 2.732 . . . . 0.0 115.396 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.0 mmt -55.75 -40.21 72.24 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.564 1.075 . . . . 0.0 112.844 -171.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -90.57 -2.08 57.88 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.8 p -126.83 -16.56 5.15 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.953 1.301 . . . . 0.0 114.186 -173.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -91.77 121.83 33.76 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.061 1.744 . . . . 0.0 110.433 174.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.6 mt -126.76 123.76 63.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.456 1.503 . . . . 0.0 110.725 -167.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -86.61 134.66 33.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.804 1.642 . . . . 0.0 108.416 169.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.7 t -135.46 90.22 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.323 1.049 . . . . 0.0 109.295 -173.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.63 -173.33 30.78 Favored Glycine 0 N--CA 1.466 0.646 0 C-N-CA 124.188 0.899 . . . . 0.0 114.207 177.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.81 15.19 71.14 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.602 1.096 . . . . 0.0 114.124 -174.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.3 mt -70.9 145.08 91.33 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 124.828 1.251 . . . . 0.0 110.472 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.9 142.17 42.29 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 122.103 1.868 . . . . 0.0 108.654 168.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -61.99 -13.12 22.57 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -169.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -88.78 -0.66 57.54 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.405 1.482 . . . . 0.0 114.765 175.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.7 m -64.99 131.85 47.68 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.715 1.206 . . . . 0.0 109.124 172.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.3 m -106.47 168.41 9.18 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.952 0.901 . . . . 0.0 111.925 177.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -58.63 -40.28 82.89 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.379 -0.826 . . . . 0.0 111.897 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -66.04 -40.89 91.35 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.518 0.727 . . . . 0.0 112.043 174.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 m -56.4 -46.54 80.11 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.925 1.29 . . . . 0.0 110.58 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.0 tp -75.25 -34.63 61.42 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -61.87 -42.83 99.53 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.03 0.832 . . . . 0.0 111.316 171.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.29 -41.57 76.64 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.105 0.962 . . . . 0.0 111.384 -175.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -61.68 -32.75 72.96 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -86.62 -5.55 59.1 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -67.63 -18.11 64.85 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.863 1.21 . . . . 0.0 112.987 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -70.16 -15.69 62.98 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.818 0.847 . . . . 0.0 113.103 174.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -100.29 -11.87 19.98 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.706 1.202 . . . . 0.0 113.417 -177.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.16 -143.53 15.19 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 124.439 1.019 . . . . 0.0 113.525 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -94.16 136.18 34.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.017 1.327 . . . . 0.0 112.205 -169.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 56.4 mt -116.98 129.52 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.865 1.266 . . . . 0.0 111.071 -168.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.48 -44.71 23.84 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.457 1.503 . . . . 0.0 111.961 171.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -164.02 145.74 8.93 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.515 1.926 . . . . 0.0 108.671 -169.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.01 127.18 7.06 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.292 1.037 . . . . 0.0 110.633 173.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.8 m -154.47 158.07 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.209 1.404 . . . . 0.0 111.469 -175.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.57 134.78 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.041 1.736 . . . . 0.0 108.823 173.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 50.8 mm -78.96 109.02 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.973 0.892 . . . . 0.0 109.908 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -108.3 150.64 27.04 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 125.75 1.62 . . . . 0.0 109.148 169.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.32 120.16 9.88 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 168.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.509 ' HG2' ' C6 ' ' B' ' 12' ' ' ' C' . 15.4 mmt-85 -69.48 -4.26 18.04 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -170.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -105.81 -25.14 12.3 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.313 1.845 . . . . 0.0 112.887 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 55.9 p -132.36 -16.0 2.78 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.637 1.575 . . . . 0.0 115.002 -171.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 65.57 20.75 11.68 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.219 2.208 . . . . 0.0 113.824 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -69.16 -14.91 63.26 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 117.955 2.576 . . . . 0.0 117.955 -168.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.2 t 69.47 145.88 0.06 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 127.691 2.396 . . . . 0.0 113.65 -172.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.0 mtt-85 -104.5 0.67 29.05 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.485 1.114 . . . . 0.0 113.579 170.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 78.43 14.81 81.76 Favored Glycine 0 N--CA 1.47 0.921 0 O-C-N 121.435 -0.79 . . . . 0.0 113.765 -178.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -145.31 156.16 43.64 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.59 1.195 . . . . 0.0 113.772 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.13 -176.28 14.43 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 126.935 2.207 . . . . 0.0 112.332 175.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -126.61 147.83 49.86 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.451 1.5 . . . . 0.0 109.987 173.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.0 133.97 47.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 C-N-CA 126.341 1.856 . . . . 0.0 107.436 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.0 m -126.3 134.37 51.15 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 177.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 81.9 mmm -104.15 147.09 27.84 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.406 1.082 . . . . 0.0 110.927 -172.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -68.25 -18.8 64.64 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -155.63 152.28 28.52 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.939 1.296 . . . . 0.0 111.874 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -57.25 -30.5 64.69 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.887 1.275 . . . . 0.0 112.689 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.53 -17.0 63.55 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 175.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.3 m -92.43 -34.89 13.95 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.97 -1.081 . . . . 0.0 111.161 169.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.78 73.45 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.68 -37.71 88.36 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.764 0.711 . . . . 0.0 111.967 175.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -70.78 -35.3 72.52 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.439 1.096 . . . . 0.0 112.138 172.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.97 -38.61 79.47 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 176.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 7.8 p -79.83 -8.04 59.05 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.915 1.079 . . . . 0.0 113.915 176.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -60.95 -32.63 72.15 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.364 1.466 . . . . 0.0 113.779 -175.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -113.48 110.62 50.04 Favored Pre-proline 0 CA--C 1.547 0.831 0 C-N-CA 125.456 1.503 . . . . 0.0 109.492 172.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.84 -16.34 14.55 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.898 2.399 . . . . 0.0 113.147 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -138.17 76.27 38.87 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.177 1.391 . . . . 0.0 111.288 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.92 -11.15 13.87 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.955 3.103 . . . . 0.0 115.932 -169.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.9 mm 66.46 57.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 125.358 1.463 . . . . 0.0 111.43 175.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.5 mt -70.52 119.37 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.339 1.056 . . . . 0.0 110.233 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 60.62 21.73 11.59 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.947 2.099 . . . . 0.0 114.312 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.21 28.25 10.03 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.507 1.051 . . . . 0.0 115.15 174.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -147.77 138.33 23.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.43 1.492 . . . . 0.0 109.448 178.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -62.26 104.16 0.46 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.516 0.674 . . . . 0.0 112.382 -175.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -80.53 170.44 16.34 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.686 1.195 . . . . 0.0 110.073 169.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -140.95 115.99 9.83 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.136 1.775 . . . . 0.0 108.739 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.7 t -113.39 126.7 70.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.998 1.319 . . . . 0.0 109.821 -171.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -159.99 161.24 34.06 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.894 1.277 . . . . 0.0 112.093 174.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.97 154.03 27.66 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.212 -0.93 . . . . 0.0 110.803 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -54.6 -90.14 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 115.992 1.849 . . . . 0.0 115.992 -176.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -22.95 3.11 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.847 1 N-CA-C 124.546 5.017 . . . . 0.0 124.546 173.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.1 mt -89.74 -64.82 1.08 Allowed 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 124.195 3.18 . . . . 0.0 111.064 -169.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.01 21.02 46.27 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 125.908 1.718 . . . . 0.0 112.687 169.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.52 159.37 34.03 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.051 1.34 . . . . 0.0 114.259 -170.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -137.79 151.39 70.43 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 126.954 2.102 . . . . 0.0 111.267 -170.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -69.13 143.05 52.53 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.239 2.626 . . . . 0.0 111.302 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -154.43 81.36 1.11 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.609 1.164 . . . . 0.0 110.282 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 58.4 p 54.67 8.05 0.19 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 129.202 3.001 . . . . 0.0 117.812 168.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -135.78 17.12 3.3 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.219 1.408 . . . . 0.0 112.947 -170.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.6 m -147.17 154.14 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 126.288 1.835 . . . . 0.0 111.019 -173.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 126.059 1.743 . . . . 0.0 111.318 -177.227 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 C3'-C2'-C1' 105.027 3.919 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.203 0 O4'-C1'-N19 111.901 3.701 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.227 0 O4'-C1'-N19 111.259 3.059 . 0.496 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.378 1 C3'-C2'-C1' 106.231 5.256 OUTLIER-DELTA 0.091 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.758 0 O4'-C1'-N19 111.985 3.785 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.509 ' C6 ' ' HG2' ' A' ' 70' ' ' ARG . . . . . . . . 0 C5'--C4' 1.542 2.472 0 C5'-C4'-C3' 109.992 -3.672 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.739 -0.544 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.3 p -86.38 -9.74 55.75 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -177.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 t -163.83 171.7 15.09 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 126.835 2.054 . . . . 0.0 110.575 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -63.11 141.29 58.82 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.744 1.218 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.4 149.57 49.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.567 1.147 . . . . 0.0 112.932 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -74.0 133.35 78.84 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.357 1.063 . . . . 0.0 110.45 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -72.44 152.6 54.9 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.303 2.668 . . . . 0.0 111.663 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.87 -11.21 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -174.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -160.93 135.62 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.343 1.857 . . . . 0.0 109.705 177.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.62 21.96 12.6 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.497 1.523 . . . . 0.0 114.857 -173.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.5 m -147.72 169.04 20.56 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.115 1.766 . . . . 0.0 110.918 -172.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.4 tpp85 -157.7 -42.62 0.07 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 175.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -172.7 169.66 4.92 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 127.612 2.365 . . . . 0.0 110.841 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.0 p -62.9 -26.37 68.76 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.547 1.139 . . . . 0.0 112.683 175.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 97.0 mtp -56.01 -18.63 9.94 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.135 1.374 . . . . 0.0 113.424 172.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -116.59 3.94 13.16 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.735 1.214 . . . . 0.0 113.849 -178.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.8 p -135.77 -21.29 1.49 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.546 1.138 . . . . 0.0 114.07 -177.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -86.92 129.96 34.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.306 1.443 . . . . 0.0 110.546 171.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 26.7 mt -129.5 119.22 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 126.053 1.741 . . . . 0.0 109.269 -169.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -81.98 137.34 35.15 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.662 1.185 . . . . 0.0 108.019 168.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.426 HG13 HG22 ' A' ' 107' ' ' VAL . 43.7 t -135.39 92.23 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.614 0.766 . . . . 0.0 109.463 -178.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.451 ' HA2' ' CB ' ' A' ' 78' ' ' TYR . . . -101.97 -175.74 27.94 Favored Glycine 0 N--CA 1.469 0.89 0 C-N-CA 123.067 0.365 . . . . 0.0 113.452 177.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.27 19.73 70.66 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 123.737 0.684 . . . . 0.0 113.631 -174.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.5 mt -73.98 145.02 83.18 Favored Pre-proline 0 C--O 1.24 0.562 0 C-N-CA 124.499 1.12 . . . . 0.0 109.919 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -69.76 145.13 56.21 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.181 1.921 . . . . 0.0 109.263 169.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -62.58 -11.7 18.33 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -170.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -90.47 2.03 56.09 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.385 1.474 . . . . 0.0 114.835 175.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.6 m -71.06 135.53 47.8 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.072 1.349 . . . . 0.0 109.741 173.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.6 m -111.96 168.87 9.25 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.41 1.084 . . . . 0.0 111.989 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -52.86 -36.01 58.43 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.703 1.201 . . . . 0.0 112.869 175.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -76.3 -40.4 51.71 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.3 1.04 . . . . 0.0 111.928 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.9 m -54.83 -43.95 73.44 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.61 1.164 . . . . 0.0 110.558 174.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.1 tp -74.85 -40.19 61.14 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -59.62 -41.3 90.1 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.708 0.685 . . . . 0.0 111.399 173.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.07 -34.36 73.1 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.4 1.08 . . . . 0.0 111.67 -175.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -70.16 -33.16 71.42 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.404 -0.81 . . . . 0.0 112.887 173.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -80.58 -8.85 59.74 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -175.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.11 -16.93 64.37 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.527 1.058 . . . . 0.0 113.175 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -72.7 -21.89 60.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.031 0.932 . . . . 0.0 113.35 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -89.64 -20.73 23.33 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.208 1.003 . . . . 0.0 113.048 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.5 -144.66 15.11 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.06 1.314 . . . . 0.0 112.909 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -87.55 124.9 33.97 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.076 0.95 . . . . 0.0 112.212 -170.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.0 mt -99.96 128.04 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.689 1.196 . . . . 0.0 109.922 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -90.62 -36.45 14.4 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.687 1.595 . . . . 0.0 111.712 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -166.62 152.19 8.18 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.654 1.982 . . . . 0.0 109.342 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.69 140.15 18.73 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.529 1.131 . . . . 0.0 111.225 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.7 m -151.04 159.14 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.848 1.659 . . . . 0.0 111.375 -174.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.6 t -126.66 133.34 68.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.345 1.458 . . . . 0.0 107.782 169.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.445 HG13 ' CE2' ' A' ' 78' ' ' TYR . 49.2 mm -76.11 116.18 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 123.641 0.776 . . . . 0.0 110.5 -171.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.1 p -124.77 136.36 53.78 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.568 1.947 . . . . 0.0 108.743 172.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.419 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 17.6 t70 -58.36 137.05 57.5 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -169.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -57.14 -22.62 41.46 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -126.75 -16.85 5.12 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.977 1.311 . . . . 0.0 114.318 -172.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.8 p -123.85 -14.79 7.1 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 125.421 1.488 . . . . 0.0 114.447 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 59.07 15.65 4.19 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.328 1.851 . . . . 0.0 113.716 -178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -66.65 139.24 57.85 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.126 -0.984 . . . . 0.0 110.672 172.789 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.8 m -77.86 133.97 38.05 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.438 -0.789 . . . . 0.0 111.702 -176.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -84.98 -5.01 59.36 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.23 4.42 88.17 Favored Glycine 0 N--CA 1.474 1.226 0 C-N-CA 124.681 1.134 . . . . 0.0 114.163 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.451 ' CB ' ' HA2' ' A' ' 40' ' ' GLY . 27.7 p90 -146.7 162.94 37.45 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.236 1.414 . . . . 0.0 114.119 177.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.66 -172.7 13.07 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 127.246 2.355 . . . . 0.0 112.315 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -135.28 146.83 48.92 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.73 1.612 . . . . 0.0 110.726 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.8 t -134.7 140.37 45.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.307 1.443 . . . . 0.0 108.345 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.7 m -121.27 132.0 54.55 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 172.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 88.6 mmm -104.07 145.25 30.45 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.217 1.007 . . . . 0.0 110.774 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -67.46 -17.47 64.71 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -147.34 145.49 29.33 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.241 1.816 . . . . 0.0 110.884 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -57.77 -33.07 68.12 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.615 1.566 . . . . 0.0 112.166 174.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.59 -19.42 64.45 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.426 1.091 . . . . 0.0 113.894 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.6 m -89.09 -33.5 17.08 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.337 -0.852 . . . . 0.0 111.778 170.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.29 -36.1 71.54 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.18 -0.95 . . . . 0.0 113.531 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.95 -41.09 97.59 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.531 0.605 . . . . 0.0 111.397 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.7 mtp-105 -63.18 -27.94 69.71 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.949 0.9 . . . . 0.0 112.935 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.11 -48.76 19.48 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.713 0.805 . . . . 0.0 112.076 174.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 12.9 p -69.86 -19.2 63.45 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -177.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -66.33 -18.23 65.23 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.142 1.377 . . . . 0.0 114.684 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -121.63 82.27 40.82 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 126.114 1.766 . . . . 0.0 109.514 174.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.47 -22.27 14.18 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.149 2.566 . . . . 0.0 114.194 -169.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -122.34 75.84 43.01 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 124.222 1.009 . . . . 0.0 111.632 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -79.9 -14.68 12.29 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 124.018 3.146 . . . . 0.0 115.808 -174.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.9 mm 64.58 55.55 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 125.608 1.563 . . . . 0.0 111.017 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.95 118.73 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.122 -0.986 . . . . 0.0 109.808 -175.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.12 23.11 9.76 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.544 1.938 . . . . 0.0 114.182 177.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.36 32.56 6.3 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.652 1.12 . . . . 0.0 115.745 171.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.28 137.24 18.18 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.812 1.306 . . . . 0.0 109.068 175.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -62.11 102.99 0.33 Allowed 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.753 -0.592 . . . . 0.0 112.332 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -78.55 171.24 15.4 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.861 1.264 . . . . 0.0 111.731 173.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -137.19 95.05 3.02 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.848 2.059 . . . . 0.0 108.499 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 39' ' ' VAL . 98.4 t -96.6 123.57 48.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 125.52 1.528 . . . . 0.0 109.206 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -159.22 160.82 35.82 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.966 0.906 . . . . 0.0 112.988 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.05 142.43 42.22 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 169.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -45.8 -82.3 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.449 0 N-CA-C 115.941 1.83 . . . . 0.0 115.941 -175.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -34.64 2.7 0.0 OUTLIER 'General case' 0 CA--C 1.577 2.0 1 N-CA-C 123.835 4.754 . . . . 0.0 123.835 -178.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.8 mt -84.24 -72.67 0.46 Allowed 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 124.867 3.485 . . . . 0.0 112.388 -168.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.76 9.83 72.49 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.254 1.406 . . . . 0.0 112.596 170.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.77 133.74 56.38 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.89 1.276 . . . . 0.0 111.534 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -95.86 140.98 22.54 Favored Pre-proline 0 CA--C 1.551 1.012 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -168.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -75.0 147.99 34.65 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 123.878 3.052 . . . . 0.0 110.843 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -144.23 125.99 15.18 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.614 1.166 . . . . 0.0 111.702 -172.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 21.7 p -76.86 149.09 36.16 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.249 1.42 . . . . 0.0 110.656 172.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -163.67 169.08 19.02 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.378 1.471 . . . . 0.0 112.006 -176.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.3 p -153.31 135.88 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.421 1.488 . . . . 0.0 109.686 176.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.13 1.772 . . . . 0.0 112.644 -169.65 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.808 1 O4'-C1'-N19 114.161 5.961 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.041 1 O4'-C1'-N19 112.453 4.253 . 0.133 5q . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 O4'-C1'-N19 111.602 3.402 . 0.82 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.545 2.695 0 C3'-C2'-C1' 98.87 -2.923 . 0.543 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.025 0 C3'-C2'-C1' 105.014 3.904 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 1 C3'-C2'-C1' 105.112 4.014 . 0.206 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.3 p -164.57 167.35 19.39 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.27 1.428 . . . . 0.0 111.991 -176.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.1 p -141.49 161.52 37.71 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.477 1.911 . . . . 0.0 110.722 -177.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -158.33 131.25 7.28 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.7 1.2 . . . . 0.0 111.714 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.58 3.5 0.41 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.132 1.373 . . . . 0.0 114.616 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -151.98 146.46 18.64 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 125.807 1.643 . . . . 0.0 110.342 -174.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -72.03 122.41 8.41 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.098 2.532 . . . . 0.0 110.937 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.4 t -145.05 129.08 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 126.122 1.769 . . . . 0.0 108.111 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -163.02 153.19 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.26 1.424 . . . . 0.0 110.441 -173.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.94 38.97 1.56 Allowed Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.831 1.682 . . . . 0.0 114.767 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.1 p -73.39 -15.76 61.35 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.609 1.163 . . . . 0.0 113.679 177.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -126.91 126.82 43.91 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.898 2.079 . . . . 0.0 108.844 172.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -84.55 -2.58 57.57 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -169.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.5 p -116.81 -22.41 8.57 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.015 1.726 . . . . 0.0 114.409 -171.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.0 mmt -61.45 -22.58 65.17 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -173.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -107.85 2.55 23.56 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.659 1.584 . . . . 0.0 113.544 -176.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.1 p -138.24 -17.95 1.16 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.164 1.386 . . . . 0.0 114.341 -172.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -89.46 124.64 34.67 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.542 1.537 . . . . 0.0 110.62 175.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.8 mt -126.37 120.66 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.362 1.465 . . . . 0.0 109.755 -169.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -82.82 138.39 33.98 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.253 1.421 . . . . 0.0 108.698 169.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 44.5 t -136.15 90.93 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.13 0.972 . . . . 0.0 109.617 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.46 -176.12 35.74 Favored Glycine 0 N--CA 1.47 0.92 0 C-N-CA 123.444 0.545 . . . . 0.0 112.999 175.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.9 15.03 71.19 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.18 0.895 . . . . 0.0 114.082 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.44 145.06 87.32 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 124.682 1.193 . . . . 0.0 110.057 175.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -70.02 143.29 49.15 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 122.18 1.92 . . . . 0.0 109.051 169.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -61.23 -13.54 19.24 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.505 1.669 . . . . 0.0 115.505 -169.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -89.74 -0.14 57.35 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 125.36 1.464 . . . . 0.0 114.793 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -68.15 130.04 41.74 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.742 1.217 . . . . 0.0 109.426 174.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -96.77 165.41 12.13 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.971 0.891 . . . . 0.0 112.392 173.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -55.1 -33.04 62.49 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.407 1.083 . . . . 0.0 112.743 170.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -80.9 -34.19 33.66 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.452 -0.785 . . . . 0.0 112.454 175.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.3 m -59.2 -42.28 90.53 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 119.381 0.991 . . . . 0.0 110.283 174.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 tp -70.93 -39.93 72.38 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.188 0.595 . . . . 0.0 112.57 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -60.86 -38.29 85.06 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.717 -0.615 . . . . 0.0 111.787 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -72.81 -16.8 61.61 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.8 1.24 . . . . 0.0 112.96 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -87.98 -43.16 11.95 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.948 0.794 . . . . 0.0 111.992 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -76.89 -15.91 59.55 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -7.27 41.42 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.61 -18.7 61.02 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.622 0.769 . . . . 0.0 112.824 169.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -93.93 -14.22 26.24 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.693 1.197 . . . . 0.0 113.34 -175.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.37 -146.6 18.41 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 124.639 1.114 . . . . 0.0 113.008 -178.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -88.18 123.11 32.49 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.189 0.996 . . . . 0.0 112.16 -170.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 87.4 mt -93.04 132.9 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.353 1.061 . . . . 0.0 109.982 178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -97.15 -32.43 11.95 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 127.02 2.128 . . . . 0.0 112.113 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -161.06 147.47 14.8 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.979 2.112 . . . . 0.0 108.403 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.21 135.88 18.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.376 1.07 . . . . 0.0 110.553 173.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.3 m -152.85 160.31 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.326 1.45 . . . . 0.0 111.9 -173.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.6 t -129.06 128.74 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 106.675 -1.602 . . . . 0.0 106.675 167.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.445 HG13 ' CE1' ' A' ' 78' ' ' TYR . 48.3 mm -77.99 111.64 15.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 124.065 0.946 . . . . 0.0 110.728 -169.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.4 p -120.53 137.22 54.49 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 126.638 1.975 . . . . 0.0 109.26 175.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -56.58 136.66 54.44 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -174.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -7.25 6.3 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 -176.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -128.06 -33.13 2.23 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.875 1.67 . . . . 0.0 113.042 -178.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.9 p -116.95 -14.86 10.65 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.811 1.644 . . . . 0.0 113.896 -172.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 59.36 16.94 5.46 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.654 1.982 . . . . 0.0 113.559 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 136.21 51.85 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.103 0.961 . . . . 0.0 109.917 172.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.7 t -78.73 142.88 36.7 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.08 -1.012 . . . . 0.0 112.022 -177.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.3 mtp85 -80.26 -10.14 59.75 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 170.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.17 9.5 86.54 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 123.838 0.732 . . . . 0.0 113.578 -171.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.445 ' CE1' HG13 ' A' ' 67' ' ' ILE . 9.6 p90 -137.52 158.15 45.01 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 118.707 1.254 . . . . 0.0 114.043 174.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.28 -171.79 13.32 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 127.355 2.407 . . . . 0.0 112.377 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -135.42 150.95 50.0 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.546 1.538 . . . . 0.0 110.89 175.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.6 t -138.13 129.53 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.38 1.472 . . . . 0.0 107.885 169.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 92.5 m -112.96 133.61 54.85 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 174.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 82.4 mmm -102.59 142.4 33.83 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.353 1.061 . . . . 0.0 110.408 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -64.22 -19.25 65.23 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -154.22 152.43 30.32 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.966 1.306 . . . . 0.0 112.235 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -57.46 -29.48 64.25 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.629 1.171 . . . . 0.0 113.276 178.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.16 -25.53 65.31 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.732 1.151 . . . . 0.0 113.379 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.1 m -84.86 -34.96 22.52 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.631 -0.668 . . . . 0.0 111.43 171.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.97 82.07 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.207 -0.933 . . . . 0.0 113.036 175.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -60.48 -34.77 74.52 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.247 1.019 . . . . 0.0 112.644 173.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.6 mtt85 -72.72 -38.04 67.58 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.141 0.576 . . . . 0.0 111.73 173.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.11 -39.88 63.06 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.7 p -74.19 -14.9 61.01 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -18.63 59.83 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -169.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -112.04 104.94 56.4 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 125.252 1.421 . . . . 0.0 109.07 169.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -78.26 -17.81 12.98 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.923 2.415 . . . . 0.0 113.106 -176.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -136.88 77.51 43.93 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.742 1.217 . . . . 0.0 111.825 -175.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.73 -13.84 14.35 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 124.099 3.199 . . . . 0.0 115.892 -174.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 6.4 mm 64.59 54.97 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 125.605 1.562 . . . . 0.0 111.33 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -69.87 120.68 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.323 1.049 . . . . 0.0 110.343 -174.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.22 21.81 9.98 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.848 2.059 . . . . 0.0 114.129 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.32 28.9 8.75 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.595 1.093 . . . . 0.0 115.438 173.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -150.0 139.35 21.37 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.071 1.348 . . . . 0.0 109.831 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -64.69 102.82 0.61 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 121.475 0.655 . . . . 0.0 112.418 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -79.42 163.44 24.79 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.665 1.186 . . . . 0.0 110.338 169.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -132.91 106.17 7.54 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.674 1.59 . . . . 0.0 108.393 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.5 t -108.61 125.78 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.318 1.447 . . . . 0.0 110.273 -169.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -166.04 163.88 18.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.958 1.303 . . . . 0.0 112.507 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.6 mt -55.87 152.21 10.32 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.745 0.818 . . . . 0.0 111.277 174.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -49.79 -89.21 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.277 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -35.69 13.51 0.0 OUTLIER 'General case' 0 CA--C 1.577 2.012 1 N-CA-C 123.553 4.649 . . . . 0.0 123.553 176.061 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.9 mt -89.88 -78.77 0.36 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 124.336 3.244 . . . . 0.0 111.883 -172.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -84.7 12.58 56.23 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.393 1.473 . . . . 0.0 112.976 172.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.04 154.07 38.87 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.762 1.625 . . . . 0.0 113.276 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -128.86 150.04 74.0 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 125.242 1.417 . . . . 0.0 112.631 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -79.45 145.56 18.77 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.105 2.537 . . . . 0.0 112.366 -173.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -150.69 148.12 28.19 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.218 2.207 . . . . 0.0 109.699 170.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.3 p -142.97 150.37 39.6 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.807 1.643 . . . . 0.0 111.376 -174.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -165.32 -48.45 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.576 1.551 . . . . 0.0 111.816 178.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.8 m -146.53 148.17 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 126.736 2.014 . . . . 0.0 109.861 172.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 . . . . . 0 C--O 1.252 1.192 0 C-N-CA 126.052 1.741 . . . . 0.0 111.503 -177.019 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C3'-C2'-C1' 105.09 3.989 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 O4'-C1'-N19 112.14 3.94 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.301 0 C5'-C4'-C3' 110.877 -3.082 . 0.511 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.492 0 O4'-C1'-N19 110.697 2.497 . 0.774 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.918 1 C3'-C2'-C1' 106.153 5.17 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C3'-C2'-C1' 104.055 2.839 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -64.72 -17.5 64.18 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 -173.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.6 p -61.0 -20.19 62.2 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.3 1.44 . . . . 0.0 113.151 172.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -62.06 -18.11 59.6 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.467 1.107 . . . . 0.0 113.503 173.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.01 -4.73 58.63 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.442 1.097 . . . . 0.0 113.768 173.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 60.71 75.96 0.44 Allowed Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 127.457 2.303 . . . . 0.0 112.958 178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.47 140.35 89.04 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 124.263 3.309 . . . . 0.0 112.605 175.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 p -164.13 162.33 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 125.225 1.41 . . . . 0.0 110.738 -173.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 p -153.81 139.71 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 125.961 1.704 . . . . 0.0 110.34 -176.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.7 -118.63 6.21 Favored Glycine 0 N--CA 1.468 0.776 0 C-N-CA 125.022 1.296 . . . . 0.0 111.478 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -63.54 -7.43 7.0 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 -172.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -126.82 -0.59 6.66 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.675 1.59 . . . . 0.0 114.088 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -167.82 131.47 1.69 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.256 1.423 . . . . 0.0 112.087 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.7 p -132.12 8.38 4.38 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.728 1.211 . . . . 0.0 113.97 -175.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 51.6 ttm -56.19 -30.28 62.04 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.668 1.187 . . . . 0.0 113.947 -174.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -116.01 16.43 16.09 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.886 1.275 . . . . 0.0 112.952 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.05 -22.8 2.53 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.914 1.286 . . . . 0.0 113.786 177.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -88.65 133.05 34.31 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.97 1.308 . . . . 0.0 111.37 172.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.8 mt -130.57 120.76 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 126.609 1.964 . . . . 0.0 109.228 -169.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -84.43 137.93 33.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.749 1.219 . . . . 0.0 108.36 168.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.411 HG13 HG22 ' A' ' 107' ' ' VAL . 53.9 t -137.52 90.86 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.02 0.928 . . . . 0.0 109.701 -176.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -99.88 -176.02 30.74 Favored Glycine 0 N--CA 1.47 0.94 0 C-N-CA 122.981 0.324 . . . . 0.0 113.187 174.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.85 16.94 76.52 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.778 0.704 . . . . 0.0 113.835 -176.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.2 mt -73.96 147.36 86.09 Favored Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 125.106 1.362 . . . . 0.0 109.548 172.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -72.52 151.86 53.54 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.03 1.82 . . . . 0.0 109.368 169.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -64.11 -11.02 26.12 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -171.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -92.32 -5.24 52.63 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.4 m -66.9 139.87 57.75 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.951 1.301 . . . . 0.0 110.291 174.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.2 m -115.5 168.52 9.92 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.229 1.012 . . . . 0.0 112.411 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -57.87 -35.88 71.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.51 1.124 . . . . 0.0 113.063 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -69.91 -40.65 75.45 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.781 -0.575 . . . . 0.0 111.613 174.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.9 m -57.85 -44.71 86.71 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.235 1.414 . . . . 0.0 110.606 177.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.0 tp -73.92 -36.21 64.69 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -60.0 -42.84 95.13 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.747 0.703 . . . . 0.0 111.113 171.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.32 -41.11 85.81 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.114 0.965 . . . . 0.0 111.73 -176.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -65.87 -32.44 73.96 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -83.17 -7.24 59.65 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 -175.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -66.56 -17.99 65.12 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.727 1.149 . . . . 0.0 113.019 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -71.23 -16.86 62.52 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.01 0.924 . . . . 0.0 113.363 174.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -96.89 -12.85 22.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.601 1.16 . . . . 0.0 112.961 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.69 -160.28 23.97 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.6 1.571 . . . . 0.0 112.824 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -76.93 139.38 40.16 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.334 1.454 . . . . 0.0 112.251 -175.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.6 mt -116.96 130.65 71.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.341 1.456 . . . . 0.0 110.473 -168.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.75 -47.91 28.48 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.879 1.272 . . . . 0.0 111.204 173.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -168.91 151.39 4.89 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.532 1.933 . . . . 0.0 109.168 -172.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.77 146.37 30.25 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.827 1.251 . . . . 0.0 110.558 172.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.5 m -150.04 157.22 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.804 1.642 . . . . 0.0 111.203 -173.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.9 t -125.55 131.93 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.186 1.394 . . . . 0.0 107.487 169.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.435 HG13 ' CE2' ' A' ' 78' ' ' TYR . 50.3 mm -77.64 111.73 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 123.818 0.847 . . . . 0.0 110.775 -169.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.3 p -117.09 133.28 56.2 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.726 2.01 . . . . 0.0 108.577 171.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.434 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 8.7 t70 -55.53 131.98 47.48 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -168.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.7 mtp-105 -58.05 -22.5 50.37 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -107.41 -38.28 5.99 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.21 1.804 . . . . 0.0 112.442 -174.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.0 p -120.24 -10.41 9.36 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -172.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 60.74 12.84 3.96 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.846 2.058 . . . . 0.0 113.85 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.434 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -72.37 138.29 47.13 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 120.919 -1.113 . . . . 0.0 110.73 175.587 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -74.54 135.29 42.15 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.378 -0.826 . . . . 0.0 111.793 -178.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -82.69 -10.34 58.96 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.83 9.57 82.59 Favored Glycine 0 N--CA 1.473 1.151 0 C-N-CA 123.996 0.808 . . . . 0.0 113.717 -173.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.435 ' CE2' HG13 ' A' ' 67' ' ' ILE . 8.6 p90 -142.63 161.32 38.38 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.632 1.173 . . . . 0.0 114.075 175.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -144.56 -172.3 15.04 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 127.39 2.424 . . . . 0.0 112.607 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -136.48 149.6 48.27 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.183 1.793 . . . . 0.0 110.759 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.5 t -137.72 142.17 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 126.018 1.727 . . . . 0.0 108.43 174.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 87.9 m -127.31 135.67 50.87 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.86 0.864 . . . . 0.0 108.994 173.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 90.3 mmm -102.47 142.89 32.92 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.435 1.094 . . . . 0.0 111.574 -173.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -69.76 -19.75 63.51 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.917 1.081 . . . . 0.0 113.917 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -136.66 145.32 44.67 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.363 1.465 . . . . 0.0 111.031 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -67.05 -35.18 79.3 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.276 1.03 . . . . 0.0 112.743 -171.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.59 -30.04 69.55 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.013 0.745 . . . . 0.0 113.013 173.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.9 m -68.55 -29.92 68.59 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.751 -1.218 . . . . 0.0 112.589 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.24 -30.73 66.69 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.308 -0.87 . . . . 0.0 112.16 169.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.08 -26.91 63.26 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 173.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.9 mtt85 -70.14 -33.5 71.87 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.336 -0.852 . . . . 0.0 111.435 170.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.23 -48.28 29.88 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.043 0.937 . . . . 0.0 112.932 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.4 p -70.87 -16.32 62.69 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -174.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm -68.35 -15.83 63.71 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 173.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -119.82 88.4 39.87 Favored Pre-proline 0 CA--C 1.543 0.702 0 C-N-CA 124.761 1.225 . . . . 0.0 109.638 169.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -76.89 -20.87 12.91 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 123.352 2.701 . . . . 0.0 113.093 -174.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -128.68 73.08 81.13 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 124.59 1.156 . . . . 0.0 112.093 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.36 -11.75 10.61 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 124.512 3.475 . . . . 0.0 115.798 -173.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 mm 64.55 55.88 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 125.776 1.63 . . . . 0.0 111.148 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.3 mt -70.0 123.68 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.052 -1.03 . . . . 0.0 109.508 -177.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.6 t0 64.65 13.6 8.44 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.684 1.594 . . . . 0.0 113.666 171.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.24 36.22 5.25 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.554 1.55 . . . . 0.0 115.205 176.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -152.9 144.2 23.22 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.437 1.118 . . . . 0.0 109.407 169.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -62.99 96.05 0.09 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.404 0.682 . . . . 0.0 111.849 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.06 164.79 25.53 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.169 0.988 . . . . 0.0 111.013 174.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 -134.47 92.84 2.97 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.924 1.69 . . . . 0.0 107.817 -176.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.411 HG22 HG13 ' A' ' 39' ' ' VAL . 98.2 t -100.53 124.33 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.736 1.614 . . . . 0.0 109.59 -170.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -164.56 159.71 19.49 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.318 1.047 . . . . 0.0 112.667 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.3 mt -52.59 146.11 10.62 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.6 0.76 . . . . 0.0 110.189 169.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -47.15 -85.79 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -176.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -30.19 3.4 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.028 1 N-CA-C 124.275 4.917 . . . . 0.0 124.275 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 mt -87.28 -74.72 0.43 Allowed 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 124.759 3.436 . . . . 0.0 112.058 -169.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -86.19 11.22 63.57 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.354 1.454 . . . . 0.0 112.782 171.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.12 132.09 52.49 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.249 1.42 . . . . 0.0 111.651 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -90.66 153.18 45.62 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 124.515 1.126 . . . . 0.0 113.315 -169.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.45 137.38 65.16 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 124.284 3.323 . . . . 0.0 111.277 168.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -161.45 148.3 14.54 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.64 1.176 . . . . 0.0 111.132 -175.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 13.6 t -58.63 138.77 56.73 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.121 1.368 . . . . 0.0 111.813 -178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -158.9 155.95 28.64 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.663 1.985 . . . . 0.0 110.89 -170.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.9 p -160.54 143.54 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.412 1.485 . . . . 0.0 110.667 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.059 1.744 . . . . 0.0 111.361 -177.349 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 1 C3'-C2'-C1' 105.527 4.474 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 0 O4'-C1'-N19 111.876 3.676 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.176 1 C5'-C4'-C3' 109.378 -4.081 . 0.616 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C3'-C2'-C1' 99.136 -2.626 . 0.534 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.032 0 C3'-C2'-C1' 105.058 3.953 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.453 1 C3'-C2'-C1' 105.753 4.726 . 0.192 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.8 p -91.9 -6.64 51.09 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.6 p -83.87 160.55 21.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.055 1.742 . . . . 0.0 112.168 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -93.54 16.06 14.56 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.653 1.581 . . . . 0.0 114.114 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -151.45 163.27 39.35 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.605 1.562 . . . . 0.0 112.298 -173.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -73.48 150.07 89.02 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 124.092 0.957 . . . . 0.0 112.359 -176.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.87 155.98 35.51 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.223 3.282 . . . . 0.0 113.66 174.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.5 t -71.41 118.92 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.772 0.829 . . . . 0.0 109.463 174.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.7 p -145.94 17.48 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 124.963 1.305 . . . . 0.0 112.631 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.61 -162.11 35.19 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 125.262 1.411 . . . . 0.0 113.042 -177.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -160.61 174.09 14.53 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.781 1.233 . . . . 0.0 111.853 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -157.65 122.7 4.45 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.642 1.577 . . . . 0.0 110.362 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 48.09 -118.75 1.02 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.005 1.722 . . . . 0.0 110.967 -174.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.4 p -121.88 16.46 10.95 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.054 1.742 . . . . 0.0 112.28 171.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 53.2 ttm -56.19 -30.49 62.34 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.54 1.136 . . . . 0.0 113.362 -175.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -112.44 9.06 19.62 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.64 1.176 . . . . 0.0 113.589 -176.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.3 p -133.78 -20.21 2.01 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.535 1.134 . . . . 0.0 113.923 -176.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -88.34 134.18 33.89 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.476 1.131 . . . . 0.0 111.159 169.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.0 mt -126.69 122.68 61.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 127.133 2.173 . . . . 0.0 108.121 -168.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -77.91 135.47 37.88 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.963 1.305 . . . . 0.0 108.416 168.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 t -135.53 78.66 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 124.286 1.034 . . . . 0.0 109.297 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.34 177.5 50.38 Favored Glycine 0 N--CA 1.466 0.641 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.38 169.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.39 22.99 66.34 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.782 1.182 . . . . 0.0 113.986 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.5 mt -80.97 151.15 70.11 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 125.314 1.446 . . . . 0.0 110.725 175.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.22 143.28 31.67 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.033 1.822 . . . . 0.0 108.322 167.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.09 -12.33 18.7 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -169.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -91.15 1.12 57.33 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 125.487 1.515 . . . . 0.0 114.803 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.4 m -66.69 135.01 53.4 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.812 1.245 . . . . 0.0 109.401 171.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.9 m -109.9 168.7 9.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.977 0.911 . . . . 0.0 112.086 175.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -56.94 -38.48 72.98 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.623 1.169 . . . . 0.0 112.315 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -72.92 -36.25 67.21 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.884 0.874 . . . . 0.0 112.31 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.4 m -57.81 -41.08 81.43 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.928 1.291 . . . . 0.0 110.801 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 tp -73.04 -40.43 65.13 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.608 0.763 . . . . 0.0 112.502 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -59.63 -38.2 80.72 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.701 -0.624 . . . . 0.0 111.715 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -72.12 -14.46 61.84 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.974 1.31 . . . . 0.0 113.266 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -91.23 -41.22 11.09 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.232 0.924 . . . . 0.0 112.555 170.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.08 -14.19 59.3 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -174.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -6.96 40.97 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -179.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -76.54 -17.32 59.3 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.873 0.869 . . . . 0.0 112.95 170.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -95.5 -14.66 23.49 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.626 1.17 . . . . 0.0 113.456 -175.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.98 -146.76 18.23 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.641 1.115 . . . . 0.0 112.723 -178.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -89.34 123.48 33.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.065 0.946 . . . . 0.0 112.292 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 72.8 mt -95.68 128.3 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.404 1.082 . . . . 0.0 109.692 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -81.28 -45.92 15.52 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.075 1.75 . . . . 0.0 110.282 174.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -164.75 148.62 9.02 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.694 1.997 . . . . 0.0 109.584 177.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -142.49 142.54 32.29 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.644 1.178 . . . . 0.0 110.954 176.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 31.3 m -148.86 157.06 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.945 1.298 . . . . 0.0 112.277 -173.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.4 t -120.47 134.48 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.921 1.689 . . . . 0.0 107.87 169.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 30.6 mm -84.69 99.47 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 124.533 1.133 . . . . 0.0 109.93 -169.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.5 p -117.57 111.98 19.94 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 127.731 2.413 . . . . 0.0 109.747 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.417 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 12.5 t70 -30.87 134.41 0.06 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 128.892 2.877 . . . . 0.0 118.765 -166.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 56.6 mtt85 -56.31 -27.08 54.38 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -119.31 -25.38 6.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.31 1.444 . . . . 0.0 114.007 -171.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.5 p -119.48 -12.18 9.38 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 125.074 1.35 . . . . 0.0 114.506 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 59.04 17.73 5.72 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.556 1.942 . . . . 0.0 113.405 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -76.86 136.34 38.88 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.13 1.372 . . . . 0.0 110.59 174.784 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.5 t -69.88 137.38 51.6 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.988 -1.07 . . . . 0.0 111.527 177.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -89.31 2.41 54.39 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.972 0.909 . . . . 0.0 113.232 173.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.8 8.92 83.68 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 124.56 1.076 . . . . 0.0 113.984 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -138.57 155.56 48.25 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.56 -179.11 16.89 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 127.486 2.47 . . . . 0.0 112.12 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -136.13 145.86 46.32 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.456 1.502 . . . . 0.0 110.19 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.0 t -134.81 125.88 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.787 1.235 . . . . 0.0 109.054 176.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.6 m -106.98 125.78 51.45 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.383 1.073 . . . . 0.0 108.493 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 80.3 mmm -95.0 151.04 19.52 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.895 1.278 . . . . 0.0 110.3 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -72.75 -17.1 61.63 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -156.22 153.64 29.5 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.172 1.389 . . . . 0.0 112.216 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -57.46 -28.69 63.58 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.387 1.075 . . . . 0.0 113.286 178.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.05 -24.92 63.34 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.2 m -84.73 -33.75 23.03 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.427 -0.796 . . . . 0.0 111.291 169.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.69 -34.77 74.39 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.17 -42.61 88.68 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.907 0.776 . . . . 0.0 111.056 175.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -61.04 -31.48 71.12 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.385 1.074 . . . . 0.0 111.864 176.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.59 -12.09 60.0 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.2 p -108.97 -0.84 19.39 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -60.12 -28.59 67.99 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -122.54 111.37 31.56 Favored Pre-proline 0 CA--C 1.547 0.827 0 C-N-CA 126.128 1.771 . . . . 0.0 109.389 170.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -79.85 -12.38 13.48 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.136 2.558 . . . . 0.0 113.489 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -132.48 71.01 79.49 Favored Pre-proline 0 CA--C 1.554 1.121 0 C-N-CA 124.928 1.291 . . . . 0.0 112.218 -178.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -79.41 -11.53 14.4 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 124.376 3.384 . . . . 0.0 116.561 -171.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.3 mm 64.86 60.49 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.306 0 C-N-CA 125.969 1.707 . . . . 0.0 111.449 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.0 mt -71.76 117.28 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.095 -1.003 . . . . 0.0 110.165 -176.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 t70 61.27 15.92 6.86 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.028 2.131 . . . . 0.0 114.796 174.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 104.24 34.52 3.64 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 125.081 1.324 . . . . 0.0 115.619 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -154.04 141.77 20.0 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.843 1.257 . . . . 0.0 109.606 172.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -66.62 103.03 0.99 Allowed 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.713 -0.617 . . . . 0.0 111.857 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.1 161.75 29.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.27 1.028 . . . . 0.0 111.105 175.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -127.33 110.58 12.96 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.157 1.383 . . . . 0.0 108.361 171.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 58.2 t -113.95 122.67 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.865 1.266 . . . . 0.0 110.38 -169.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -165.76 163.67 18.9 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.897 1.679 . . . . 0.0 111.615 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.7 mt -56.26 146.26 24.24 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.436 0.694 . . . . 0.0 111.314 174.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -49.05 -84.7 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -29.95 0.38 0.0 OUTLIER 'General case' 0 CA--C 1.574 1.903 1 N-CA-C 124.056 4.835 . . . . 0.0 124.056 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.6 mt -84.63 -58.3 2.78 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 124.238 3.199 . . . . 0.0 111.628 -169.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -93.28 13.93 66.46 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.601 1.572 . . . . 0.0 113.579 174.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.59 137.04 58.15 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.777 1.631 . . . . 0.0 113.067 -174.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -95.2 149.5 36.3 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 124.036 0.935 . . . . 0.0 112.466 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -76.44 169.96 20.89 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.745 2.963 . . . . 0.0 112.074 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -134.48 13.51 3.78 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.631 1.572 . . . . 0.0 113.239 176.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 68.1 p 49.9 40.9 21.87 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 127.812 2.445 . . . . 0.0 114.022 172.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -67.09 149.84 49.99 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.901 0.88 . . . . 0.0 112.328 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.8 p -163.45 138.67 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.372 1.869 . . . . 0.0 109.788 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.025 1.73 . . . . 0.0 111.548 -175.292 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ' G' . . . . . 0.42 H5'' ' C5 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.524 2 O4'-C1'-N19 114.657 6.457 . 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.42 ' C5 ' H5'' ' B' ' 7' ' ' ' G' . . . . . . . . 0 C5'--C4' 1.541 2.417 1 C5'-C4'-C3' 109.463 -4.025 . 0.186 5q . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 0 O4'-C1'-N19 111.713 3.513 . 0.612 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.549 2.978 2 O4'-C1'-N19 112.814 4.614 . 0.598 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.959 1 C3'-C2'-C1' 106.141 5.156 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.019 0 O4'-C1'-N19 111.687 3.487 . 0.118 3b . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_