data_5tmx_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 5tmx _Structure_validation_residue.Date_analyzed 2017-10-20 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 ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.579 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.85 -40.79 98.54 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.877 -1.14 . . . . 0.0 110.853 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -69.0 -36.29 77.66 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.605 1.162 . . . . 0.0 113.722 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.8 p -72.76 -39.5 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.36 0.982 . . . . 0.0 111.583 171.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -66.6 -44.14 82.95 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.455 0.702 . . . . 0.0 112.597 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 pp -65.95 -39.85 90.83 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.218 0.463 . . . . 0.0 111.496 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -63.54 -43.12 98.04 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.791 0.723 . . . . 0.0 112.863 -172.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.57 -42.22 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.136 0.574 . . . . 0.0 111.563 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -79.95 -35.43 37.68 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.43 -31.8 70.76 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.545 1.138 . . . . 0.0 113.623 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -68.13 -40.98 82.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.323 1.049 . . . . 0.0 112.632 174.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -74.81 -37.3 62.38 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.258 1.023 . . . . 0.0 112.425 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.17 -14.62 58.32 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.949 1.299 . . . . 0.0 113.415 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.6 t30 54.73 53.3 10.74 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.647 1.979 . . . . 0.0 113.442 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.4 mm -65.9 155.82 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 163.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.5 m -72.78 113.17 18.92 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 125.176 1.39 . . . . 0.0 112.845 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -72.44 -26.97 16.44 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.959 2.439 . . . . 0.0 112.833 169.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -59.92 -37.65 80.08 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.626 -0.671 . . . . 0.0 112.148 -173.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -56.73 -41.99 78.44 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.311 1.044 . . . . 0.0 112.24 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mp -74.89 -49.86 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 C-N-CA 123.325 0.65 . . . . 0.0 109.934 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -62.45 -35.56 79.68 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.198 0.908 . . . . 0.0 113.149 -174.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -73.47 -36.52 65.85 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.379 0.991 . . . . 0.0 113.368 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -52.34 62.64 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.469 1.108 . . . . 0.0 109.586 171.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.6 tp -55.69 -40.01 71.79 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.926 2.09 . . . . 0.0 114.284 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.1 tp . . . . . 0 CA--C 1.541 0.614 0 C-N-CA 124.137 0.975 . . . . 0.0 112.358 179.033 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 . . . . . 0 N--CA 1.469 0.495 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -70.35 -52.22 24.24 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.149 0.886 . . . . 0.0 110.099 162.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -64.75 -33.78 76.79 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.017 1.327 . . . . 0.0 114.321 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 t -71.79 -45.43 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.825 1.25 . . . . 0.0 112.103 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -64.44 -45.48 87.33 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.802 0.728 . . . . 0.0 111.234 172.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 tt -56.99 -48.0 79.46 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.813 1.645 . . . . 0.0 111.455 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -46.77 87.57 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.102 0.961 . . . . 0.0 112.376 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 70.1 t -69.25 -46.13 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.479 0.711 . . . . 0.0 111.531 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -74.27 -39.06 63.24 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.434 -0.791 . . . . 0.0 113.077 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.37 -31.27 71.39 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.199 1.0 . . . . 0.0 113.296 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -60.01 -47.2 86.83 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.523 1.129 . . . . 0.0 112.007 169.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -74.72 -32.85 62.25 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.57 -16.27 56.21 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 23.2 m120 54.88 51.86 12.95 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.274 1.83 . . . . 0.0 113.432 -171.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 11.9 mm -68.3 166.72 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 162.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m -77.55 109.87 10.92 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 124.587 1.155 . . . . 0.0 113.613 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -75.21 -21.58 15.32 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.011 2.474 . . . . 0.0 112.783 167.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -60.43 -32.41 71.33 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.155 0.982 . . . . 0.0 112.205 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -59.87 -44.37 94.19 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.049 0.94 . . . . 0.0 112.025 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.402 ' H ' HD13 ' B' ' 38' ' ' ILE . 4.4 mp -72.93 -46.27 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 123.962 0.905 . . . . 0.0 109.765 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -63.01 -44.34 96.25 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -68.1 -36.86 80.46 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.418 1.008 . . . . 0.0 112.471 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.96 -49.5 65.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.313 0.645 . . . . 0.0 111.055 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 tp . . . . . 0 CA--C 1.542 0.667 0 C-N-CA 126.263 1.825 . . . . 0.0 114.0 175.208 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 118.858 2.91 . . . . 0.0 118.858 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -54.84 -40.6 69.78 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 121.138 1.79 . . . . 0.0 111.443 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -62.69 -25.65 68.26 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.448 1.499 . . . . 0.0 114.654 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -81.0 -44.99 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.19 0.905 . . . . 0.0 110.655 171.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.15 -39.56 93.17 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.152 0.981 . . . . 0.0 113.095 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 pp -70.12 -39.48 75.44 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.631 -0.668 . . . . 0.0 111.521 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -64.85 -44.94 88.14 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 118.965 0.802 . . . . 0.0 112.575 -171.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.3 -34.7 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -80.75 -35.13 33.73 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.504 -0.747 . . . . 0.0 112.84 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.9 73.11 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.019 -1.051 . . . . 0.0 113.455 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.03 -46.09 86.02 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.124 0.97 . . . . 0.0 112.355 170.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -70.28 -38.69 75.1 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.266 1.026 . . . . 0.0 112.2 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.43 -15.39 55.26 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.438 1.495 . . . . 0.0 114.209 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 54.96 50.98 14.33 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.101 1.76 . . . . 0.0 112.724 -173.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.1 mm -67.36 161.64 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 O-C-N 121.834 -0.542 . . . . 0.0 109.644 165.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.3 m -79.63 111.55 22.02 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.002 1.321 . . . . 0.0 113.438 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -72.76 -25.11 17.42 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 123.619 2.879 . . . . 0.0 112.99 168.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -60.8 -32.66 72.01 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.616 -0.678 . . . . 0.0 112.511 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -60.23 -41.96 94.24 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.544 1.138 . . . . 0.0 112.273 175.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.3 mp -74.64 -46.08 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.432 0.693 . . . . 0.0 109.961 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -59.7 -44.25 93.75 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.895 0.771 . . . . 0.0 112.944 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -67.08 -35.21 79.32 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 119.856 1.207 . . . . 0.0 113.091 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.01 -52.29 56.9 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.09 0.956 . . . . 0.0 110.058 172.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.48 -37.29 67.63 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.785 1.634 . . . . 0.0 114.181 176.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.7 mt . . . . . 0 CA--C 1.545 0.769 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 177.122 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 117.131 2.271 . . . . 0.0 117.131 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.88 -54.47 28.89 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.802 1.637 . . . . 0.0 111.695 -174.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -60.32 -28.02 67.8 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.0 t -84.74 -42.95 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.669 0.787 . . . . 0.0 111.939 -175.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -66.48 -34.49 78.04 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.923 -0.486 . . . . 0.0 111.153 171.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.08 -54.44 30.0 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.398 1.879 . . . . 0.0 112.449 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -35.85 82.07 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -168.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.62 -38.44 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -78.46 -39.03 39.66 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.376 -0.827 . . . . 0.0 112.578 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.31 -31.25 71.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.118 0.967 . . . . 0.0 112.944 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -62.61 -52.0 65.11 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.616 1.166 . . . . 0.0 112.42 171.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -75.08 -31.69 61.29 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -176.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.06 -15.97 59.41 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.008 0.923 . . . . 0.0 112.927 170.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 54.09 54.18 10.02 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.518 2.327 . . . . 0.0 113.138 -176.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.06 165.65 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 159.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 49.8 m -78.01 109.04 8.73 Favored Pre-proline 0 CA--C 1.547 0.865 0 O-C-N 120.797 -1.189 . . . . 0.0 113.569 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -74.52 -21.48 16.98 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.949 2.433 . . . . 0.0 112.746 167.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -58.28 -34.93 71.06 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.533 0.733 . . . . 0.0 111.216 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -57.87 -42.36 84.38 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.236 1.015 . . . . 0.0 112.219 176.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.16 -45.21 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 123.715 0.806 . . . . 0.0 109.887 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -58.15 -42.63 86.33 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -75.11 -33.79 61.64 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.777 0.831 . . . . 0.0 113.084 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -47.48 79.88 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.287 0.635 . . . . 0.0 110.36 170.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.9 mt . . . . . 0 N--CA 1.475 0.813 0 CA-C-N 119.666 1.121 . . . . 0.0 112.758 171.519 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -58.73 -42.2 88.22 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.289 1.404 . . . . 0.0 111.247 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -63.29 -28.33 69.95 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.427 1.491 . . . . 0.0 113.96 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.67 -46.29 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 118.892 0.769 . . . . 0.0 110.77 171.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -66.39 -32.52 73.96 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 pp -72.45 -45.54 59.11 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.017 0.826 . . . . 0.0 111.452 169.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -62.62 -42.58 99.67 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.975 0.91 . . . . 0.0 112.888 -171.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.2 p -62.16 -33.04 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.604 0.762 . . . . 0.0 112.932 -176.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -104.45 -29.51 10.65 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.94 -32.51 69.65 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.696 1.134 . . . . 0.0 113.46 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -66.16 -34.96 79.23 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 172.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -83.73 -34.92 24.76 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.132 1.373 . . . . 0.0 112.809 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.87 -15.09 58.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.991 1.317 . . . . 0.0 112.752 172.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m120 59.46 50.66 7.3 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 127.599 2.36 . . . . 0.0 113.231 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.4 mm -64.24 160.88 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.31 0.644 . . . . 0.0 109.676 164.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.8 m -76.27 112.38 20.73 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.897 1.279 . . . . 0.0 112.992 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -74.61 -22.47 15.71 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.238 2.625 . . . . 0.0 113.456 170.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.48 -38.2 83.5 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.394 0.677 . . . . 0.0 112.515 -169.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -56.53 -43.55 79.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.287 1.035 . . . . 0.0 111.993 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.423 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.0 mp -72.43 -51.84 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 C-N-CA 123.943 0.897 . . . . 0.0 109.453 176.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -56.81 -33.08 66.37 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.288 1.035 . . . . 0.0 112.919 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -86.23 -43.34 13.05 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.354 1.462 . . . . 0.0 114.038 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.78 -37.18 85.66 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.516 1.053 . . . . 0.0 111.697 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.4 tp -55.41 -24.94 32.91 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.876 2.07 . . . . 0.0 114.994 170.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt . . . . . 0 N--CA 1.474 0.775 0 CA-C-N 119.3 0.955 . . . . 0.0 112.451 173.599 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 116.808 2.151 . . . . 0.0 116.808 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.98 -42.59 63.05 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.533 1.515 . . . . 0.0 111.66 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -61.38 -29.48 69.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.165 1.386 . . . . 0.0 114.388 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -79.74 -44.22 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 119.106 0.866 . . . . 0.0 110.859 173.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.79 -42.55 97.7 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.372 0.669 . . . . 0.0 112.459 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.56 -38.96 77.65 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.599 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -51.02 68.91 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.771 1.169 . . . . 0.0 113.36 -169.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.42 -37.01 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 122.101 -0.374 . . . . 0.0 111.79 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -74.74 -38.85 62.15 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.032 0.933 . . . . 0.0 112.455 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.53 -34.26 76.74 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.609 1.164 . . . . 0.0 113.037 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -63.47 -44.97 92.9 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.316 1.046 . . . . 0.0 111.631 169.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -68.51 -40.27 80.91 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.789 0.836 . . . . 0.0 112.867 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.72 -12.74 55.41 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.197 1.399 . . . . 0.0 114.327 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 m120 56.25 57.22 5.14 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.537 1.935 . . . . 0.0 113.717 -173.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 37.3 mm -65.23 164.19 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 121.586 -0.696 . . . . 0.0 109.45 158.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 74.9 m -77.33 110.33 12.09 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.936 1.294 . . . . 0.0 113.053 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.8 -21.26 18.99 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.482 2.788 . . . . 0.0 112.963 169.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -56.45 -37.19 69.95 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.012 0.925 . . . . 0.0 111.669 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -59.16 -40.49 85.74 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.172 0.989 . . . . 0.0 112.532 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.3 mp -76.39 -45.21 34.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 123.924 0.89 . . . . 0.0 110.099 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -60.85 -44.15 97.39 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.724 0.81 . . . . 0.0 112.618 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -71.04 -35.0 71.81 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.113 0.869 . . . . 0.0 113.03 178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -53.27 56.83 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.223 1.009 . . . . 0.0 109.634 170.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 65.4 tp . . . . . 0 CA--C 1.544 0.717 0 C-N-CA 126.06 1.744 . . . . 0.0 114.721 175.295 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 118.707 2.855 . . . . 0.0 118.707 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -51.84 -49.18 63.36 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 120.963 1.71 . . . . 0.0 111.398 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -56.64 -31.97 64.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.663 1.585 . . . . 0.0 114.587 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.9 t -81.47 -43.13 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.094 0.558 . . . . 0.0 111.578 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -64.65 -40.81 96.08 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.218 0.532 . . . . 0.0 111.033 171.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tt -58.31 -51.67 68.8 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.249 1.819 . . . . 0.0 111.715 175.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -62.28 -33.97 75.66 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.617 1.099 . . . . 0.0 113.132 -172.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.8 t -72.37 -48.8 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.622 0.769 . . . . 0.0 111.362 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -73.32 -37.5 66.14 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.646 -0.659 . . . . 0.0 112.363 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.34 -31.1 69.32 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.192 0.997 . . . . 0.0 113.351 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.4 -40.61 93.63 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.937 1.295 . . . . 0.0 112.473 169.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -69.89 -42.15 73.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.259 0.623 . . . . 0.0 112.296 173.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.9 -16.68 49.8 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 115.416 1.635 . . . . 0.0 115.416 -176.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 57.34 71.24 0.59 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.393 1.877 . . . . 0.0 113.187 -172.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.8 mm -105.25 69.75 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.123 1.369 . . . . 0.0 111.648 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 m 45.46 62.37 10.87 Favored Pre-proline 0 CA--C 1.554 1.097 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 162.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -58.08 -22.87 58.02 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 123.692 2.928 . . . . 0.0 114.042 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -56.83 -35.03 68.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.375 1.07 . . . . 0.0 113.03 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -58.38 -38.67 77.77 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.301 0.955 . . . . 0.0 112.13 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mp -82.38 -48.39 18.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 125.241 1.416 . . . . 0.0 109.898 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -59.67 -36.57 76.7 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.076 0.95 . . . . 0.0 112.845 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -76.24 -42.05 47.09 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.36 1.064 . . . . 0.0 112.733 174.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.07 -35.94 80.93 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.506 0.594 . . . . 0.0 111.135 -176.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.8 mt -54.65 -25.36 26.33 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 170.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.5 mt . . . . . 0 N--CA 1.474 0.735 0 CA-C-N 119.54 1.064 . . . . 0.0 112.662 175.272 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -61.04 -44.34 97.54 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.363 0.983 . . . . 0.0 110.241 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -62.9 -38.74 92.17 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.774 1.229 . . . . 0.0 114.315 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 8.6 m -76.48 -31.8 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.329 0.968 . . . . 0.0 112.067 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -72.89 -44.78 60.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.771 0.829 . . . . 0.0 112.265 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 pp -66.64 -37.03 83.97 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.685 177.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -58.73 -51.65 69.05 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.464 1.029 . . . . 0.0 112.782 -171.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.43 -44.65 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 123.482 0.713 . . . . 0.0 111.189 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -67.16 -40.63 86.68 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.31 0.644 . . . . 0.0 112.116 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.95 -33.92 75.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.467 1.107 . . . . 0.0 113.615 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -69.85 -41.16 75.26 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.91 1.284 . . . . 0.0 112.254 172.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -70.03 -45.69 66.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.755 0.822 . . . . 0.0 112.447 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.85 -0.76 57.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.07 1.348 . . . . 0.0 114.507 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 60.7 t30 54.72 56.82 6.29 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.836 1.655 . . . . 0.0 113.998 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 45.0 mm -65.93 167.87 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 158.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -67.83 118.85 61.89 Favored Pre-proline 0 N--CA 1.475 0.786 0 O-C-N 120.487 -1.383 . . . . 0.0 112.426 170.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -84.25 -28.58 1.12 Allowed 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.564 2.176 . . . . 0.0 111.838 160.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.74 -34.33 76.97 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.218 -0.926 . . . . 0.0 112.043 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -56.68 -38.18 71.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.372 0.669 . . . . 0.0 112.558 174.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -79.52 -51.16 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.559 1.143 . . . . 0.0 110.845 174.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -61.0 -36.5 79.64 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.998 0.817 . . . . 0.0 113.159 -175.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.7 pttm -71.8 -37.8 70.35 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.341 0.973 . . . . 0.0 112.832 175.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -67.4 -45.73 75.3 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.612 1.565 . . . . 0.0 110.238 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.3 tp . . . . . 0 CA--C 1.538 0.506 0 C-N-CA 126.237 1.815 . . . . 0.0 113.318 173.378 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -52.74 -53.52 46.74 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.07 1.305 . . . . 0.0 110.818 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -59.78 -32.24 70.42 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.531 1.532 . . . . 0.0 115.078 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -76.73 -47.28 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.153 0.888 . . . . 0.0 111.485 -174.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -66.3 -42.95 87.59 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.935 -0.478 . . . . 0.0 111.043 173.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tt -53.82 -49.24 68.81 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.5 1.52 . . . . 0.0 111.583 174.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -58.98 -48.08 82.82 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.821 0.849 . . . . 0.0 112.26 -177.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.89 -49.24 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 123.61 0.764 . . . . 0.0 111.219 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -65.7 -38.24 88.67 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.631 -0.668 . . . . 0.0 112.514 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.9 -33.57 72.36 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -63.24 -48.75 76.91 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.766 0.826 . . . . 0.0 111.173 168.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -65.74 -36.01 82.37 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.62 -18.18 45.6 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 177.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 50.13 62.61 2.58 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.693 1.597 . . . . 0.0 111.813 -164.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.9 mm -67.61 171.61 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 155.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.7 m -82.59 106.24 6.35 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 125.752 1.621 . . . . 0.0 113.693 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.72 -30.24 9.75 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.346 2.698 . . . . 0.0 114.284 174.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -63.66 -28.39 69.87 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.679 -0.638 . . . . 0.0 112.235 -173.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.46 -40.59 91.77 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.71 1.204 . . . . 0.0 112.46 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mp -74.84 -46.43 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 123.32 0.648 . . . . 0.0 110.116 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 ttp85 -55.43 -49.65 71.86 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 118.689 0.677 . . . . 0.0 112.597 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -65.82 -38.06 87.92 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.34 0.973 . . . . 0.0 112.753 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.43 -49.29 67.23 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.05 0.94 . . . . 0.0 110.437 176.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.2 -48.68 73.49 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.756 1.222 . . . . 0.0 112.715 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 -179.202 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -53.47 -44.03 68.62 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.204 1.365 . . . . 0.0 111.42 174.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -63.58 -29.62 70.85 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.622 1.169 . . . . 0.0 113.97 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.2 t -77.54 -45.62 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.921 0.782 . . . . 0.0 110.778 171.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -63.71 -38.33 90.72 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.382 1.473 . . . . 0.0 112.887 -176.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 pp -69.86 -47.69 61.68 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.913 -0.492 . . . . 0.0 110.842 170.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -66.85 -41.15 87.85 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.031 0.832 . . . . 0.0 113.035 -168.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.52 -33.73 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -91.06 -41.31 11.14 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.987 0.915 . . . . 0.0 113.094 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -28.92 70.4 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.554 1.142 . . . . 0.0 113.718 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -65.61 -33.53 76.12 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.056 1.342 . . . . 0.0 113.078 171.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -80.7 -39.24 27.49 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.44 0.696 . . . . 0.0 112.097 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.51 -14.3 57.1 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 58.33 51.72 8.04 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.437 1.895 . . . . 0.0 114.021 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 37.7 mm -76.27 67.3 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.621 1.168 . . . . 0.0 111.787 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 25.1 m 47.61 59.91 15.96 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -61.14 -22.94 76.21 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.069 2.513 . . . . 0.0 113.356 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -56.58 -34.3 67.02 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.515 -0.74 . . . . 0.0 111.998 173.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.59 -43.83 96.94 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.232 0.924 . . . . 0.0 111.871 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.4 mp -73.72 -43.08 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 123.302 0.641 . . . . 0.0 110.185 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 50.8 ttp85 -61.59 -44.79 96.36 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -68.61 -33.75 74.57 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.976 1.262 . . . . 0.0 112.531 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -49.65 75.2 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.497 0.719 . . . . 0.0 110.594 169.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 50.1 mt . . . . . 0 N--CA 1.479 0.993 0 CA-C-N 120.259 1.391 . . . . 0.0 113.177 172.501 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 . . . . . 0 N--CA 1.469 0.511 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.59 -42.3 98.29 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.609 1.095 . . . . 0.0 110.645 171.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -69.05 -37.84 78.78 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.925 1.29 . . . . 0.0 113.722 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.1 m -73.89 -33.21 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-N 119.809 1.186 . . . . 0.0 112.579 172.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -67.57 -48.6 66.43 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.677 0.671 . . . . 0.0 111.583 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.16 -36.21 82.5 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 118.021 -0.99 . . . . 0.0 111.999 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -33.79 76.82 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.482 1.492 . . . . 0.0 113.435 -171.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.1 t -74.67 -47.75 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.884 0.873 . . . . 0.0 110.715 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -67.53 -36.45 81.04 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.523 -0.736 . . . . 0.0 112.369 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.97 -31.55 68.14 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.416 1.087 . . . . 0.0 113.61 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -63.0 -48.93 76.69 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.314 1.046 . . . . 0.0 111.071 169.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -71.95 -35.9 69.72 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.62 -4.41 56.05 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.509 1.123 . . . . 0.0 113.418 172.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 47.68 56.19 7.44 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 127.118 2.167 . . . . 0.0 113.414 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.7 mm -72.2 173.39 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.943 1.297 . . . . 0.0 110.096 170.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.0 m -78.47 107.34 5.56 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 124.998 1.319 . . . . 0.0 113.225 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.09 -25.8 22.15 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.658 2.239 . . . . 0.0 112.654 166.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -58.09 -33.28 68.91 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.759 0.824 . . . . 0.0 112.104 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -57.07 -39.06 74.22 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.591 1.157 . . . . 0.0 112.428 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -81.52 -45.38 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 125.098 1.359 . . . . 0.0 109.974 176.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -58.52 -39.87 81.32 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.635 1.174 . . . . 0.0 113.358 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -74.66 -38.12 62.52 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.466 1.106 . . . . 0.0 112.679 174.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -67.49 -36.33 80.89 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.952 1.301 . . . . 0.0 110.702 -177.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.7 mt -54.64 -25.65 28.07 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 170.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.3 mt . . . . . 0 CA--C 1.544 0.741 0 CA-C-N 119.42 1.009 . . . . 0.0 112.676 174.865 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 . . . . . 0 CA--C 1.536 0.439 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -62.18 -43.18 99.4 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.742 0.701 . . . . 0.0 110.937 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -64.86 -30.83 71.84 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 86.0 t -73.07 -47.77 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 119.039 0.836 . . . . 0.0 111.06 168.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -62.13 -43.86 97.9 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.918 0.887 . . . . 0.0 112.854 -174.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.27 -39.48 86.06 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.109 0.564 . . . . 0.0 111.685 174.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -63.16 -46.26 87.97 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.782 0.833 . . . . 0.0 111.637 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 44.3 t -58.07 -39.56 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.037 0.935 . . . . 0.0 111.783 -177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -85.44 -43.49 13.57 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.69 -31.57 70.82 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 pttm -70.16 -30.05 67.1 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -81.91 -41.04 21.46 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.241 1.016 . . . . 0.0 111.752 171.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.64 -14.77 57.88 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.106 1.363 . . . . 0.0 113.795 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 60.0 t30 60.88 51.55 4.63 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.28 1.432 . . . . 0.0 113.29 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 41.9 mm -68.66 161.4 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 156.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.5 m -74.24 111.42 12.62 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.348 1.459 . . . . 0.0 113.449 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.91 -23.72 12.08 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.108 2.538 . . . . 0.0 113.219 169.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -60.53 -32.68 71.71 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.659 0.784 . . . . 0.0 112.039 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -58.21 -40.65 82.17 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.756 1.222 . . . . 0.0 112.103 174.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mp -78.33 -45.8 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 123.748 0.819 . . . . 0.0 110.408 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -59.53 -41.24 89.56 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -68.97 -39.2 79.57 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.472 1.033 . . . . 0.0 112.375 175.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -47.07 74.24 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.405 1.082 . . . . 0.0 111.132 -178.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 N--CA 1.475 0.795 0 O-C-N 120.5 -1.375 . . . . 0.0 113.659 174.815 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.7 -49.44 77.72 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.67 1.123 . . . . 0.0 110.166 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -60.85 -38.47 85.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.195 1.398 . . . . 0.0 114.153 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.6 p -76.11 -40.58 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.174 0.897 . . . . 0.0 112.766 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -71.53 -31.69 67.32 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.949 0.795 . . . . 0.0 111.919 175.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 tt -61.89 -55.19 32.31 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.942 1.697 . . . . 0.0 111.564 170.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -32.08 73.55 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -168.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.17 -31.65 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -89.72 -31.01 17.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.186 0.903 . . . . 0.0 112.94 172.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.25 -28.24 68.57 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.233 -0.917 . . . . 0.0 113.27 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -69.66 -34.03 73.41 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 168.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -73.73 -41.37 62.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.513 0.725 . . . . 0.0 111.249 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.82 -13.93 57.01 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.7 1.2 . . . . 0.0 114.23 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.5 t30 54.5 55.04 8.49 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.878 2.471 . . . . 0.0 114.24 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.1 mm -81.2 62.98 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.676 1.19 . . . . 0.0 112.522 -175.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 m 48.19 59.74 16.39 Favored Pre-proline 0 CA--C 1.551 1.019 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 167.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -57.15 -24.31 57.97 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.786 2.991 . . . . 0.0 114.182 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -56.49 -33.87 66.39 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.543 0.737 . . . . 0.0 111.947 175.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -60.6 -45.27 94.62 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.108 0.963 . . . . 0.0 111.913 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.3 mp -71.83 -43.97 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 123.256 0.622 . . . . 0.0 109.913 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -54.74 -49.99 69.46 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.838 0.855 . . . . 0.0 112.119 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -74.44 -37.52 63.27 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.28 -38.06 86.9 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.738 -0.649 . . . . 0.0 111.582 174.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.27 -40.38 70.94 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.298 1.408 . . . . 0.0 113.143 175.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 CA--C 1.547 0.829 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 174.779 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -54.03 -48.69 70.24 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.738 1.153 . . . . 0.0 110.776 171.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -66.1 -26.11 67.31 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -77.75 -48.18 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.204 0.911 . . . . 0.0 110.896 171.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -68.82 -35.78 77.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.846 0.858 . . . . 0.0 112.654 -174.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.02 -43.19 83.45 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.573 0.624 . . . . 0.0 110.939 169.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 19.2 tmm? -64.95 -48.52 73.79 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.192 0.906 . . . . 0.0 112.378 -171.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.1 p -61.67 -34.48 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -80.17 -43.85 20.87 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.612 0.765 . . . . 0.0 112.557 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.28 75.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.891 1.276 . . . . 0.0 113.733 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -68.33 -41.01 81.39 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.336 1.454 . . . . 0.0 112.938 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -74.08 -42.41 60.19 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.291 0.636 . . . . 0.0 112.149 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.95 -9.58 59.82 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 55.93 62.96 2.18 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.605 1.562 . . . . 0.0 113.202 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 37.5 mm -69.67 164.88 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.288 154.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.1 m -75.63 111.37 14.06 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.7 1.6 . . . . 0.0 113.1 174.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -76.43 -27.15 8.04 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.984 2.456 . . . . 0.0 112.363 167.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -59.91 -35.29 74.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.629 1.172 . . . . 0.0 113.397 -170.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -60.66 -40.66 92.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.157 0.983 . . . . 0.0 112.215 175.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 mp -77.75 -45.66 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.073 0.949 . . . . 0.0 110.717 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -56.59 -47.13 80.22 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.03 1.332 . . . . 0.0 112.336 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -68.46 -37.53 80.27 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -54.15 36.7 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.383 1.073 . . . . 0.0 110.88 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.476 0.829 0 CA-C-N 120.092 1.315 . . . . 0.0 113.292 -178.825 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -52.04 -40.85 61.73 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 120.618 -1.301 . . . . 0.0 111.332 169.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -61.1 -27.52 68.43 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.704 1.601 . . . . 0.0 114.326 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.9 t -84.71 -43.83 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.7 0.8 . . . . 0.0 110.724 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -60.2 -39.84 87.96 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.455 0.702 . . . . 0.0 112.403 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.67 -45.7 67.75 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.61 -0.709 . . . . 0.0 111.793 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -34.0 76.02 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.888 1.222 . . . . 0.0 113.021 -169.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.19 -39.33 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 123.881 0.872 . . . . 0.0 111.61 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -87.7 -34.02 18.54 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.01 70.84 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -173.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -68.85 -33.22 73.45 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 171.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -81.12 -42.88 20.25 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.528 1.131 . . . . 0.0 111.771 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.25 -0.98 43.14 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.356 1.462 . . . . 0.0 113.352 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 48.95 56.37 7.85 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 128.049 2.539 . . . . 0.0 114.452 175.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.4 mm -73.98 161.29 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 124.382 1.073 . . . . 0.0 109.57 162.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 m -74.46 113.05 20.19 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 125.247 1.419 . . . . 0.0 113.021 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.44 -24.7 18.93 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.868 2.379 . . . . 0.0 112.344 165.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -59.51 -37.57 78.65 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.683 0.793 . . . . 0.0 112.35 -171.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -55.38 -45.65 76.57 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.407 1.083 . . . . 0.0 111.907 176.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.4 ' H ' HD13 ' A' ' 38' ' ' ILE . 4.2 mp -74.68 -48.09 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 123.826 0.85 . . . . 0.0 109.89 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -57.18 -39.64 75.74 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.776 0.83 . . . . 0.0 112.786 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -79.9 -39.05 31.26 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.36 1.064 . . . . 0.0 113.354 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.05 -39.14 86.86 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.35 0.523 . . . . 0.0 111.628 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 tp -54.71 -42.68 71.81 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.64 1.576 . . . . 0.0 112.678 172.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 tt . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 124.839 1.255 . . . . 0.0 113.111 179.12 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 . . . . . 0 CA--C 1.539 0.544 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -55.06 -46.17 75.36 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.18 0.9 . . . . 0.0 110.627 173.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -60.94 -26.44 67.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.579 1.552 . . . . 0.0 114.14 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -78.27 -48.4 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 123.831 0.853 . . . . 0.0 111.651 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -67.66 -33.3 74.67 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.636 0.653 . . . . 0.0 111.763 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.82 -49.3 73.39 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 126.1 1.76 . . . . 0.0 111.116 175.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -56.38 -53.05 61.91 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.197 0.999 . . . . 0.0 112.613 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.04 -37.45 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -170.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -77.22 -43.01 35.14 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.211 0.604 . . . . 0.0 112.564 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.44 71.58 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.286 0.948 . . . . 0.0 113.323 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -65.36 -51.88 57.49 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.789 1.236 . . . . 0.0 112.327 172.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -68.23 -41.46 81.17 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.217 0.607 . . . . 0.0 112.149 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.83 -2.39 50.81 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.792 1.237 . . . . 0.0 113.848 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 49.8 t30 48.7 63.1 2.24 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.794 1.637 . . . . 0.0 113.407 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 39.9 mm -75.72 166.77 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 C-N-CA 123.874 0.87 . . . . 0.0 108.852 156.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m -76.04 110.78 12.01 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.537 1.535 . . . . 0.0 113.619 175.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.02 -21.51 15.73 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.242 2.628 . . . . 0.0 112.752 166.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.25 -36.53 73.34 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.101 0.96 . . . . 0.0 111.771 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -56.19 -42.16 76.69 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.239 1.016 . . . . 0.0 112.187 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mp -77.42 -48.48 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.55 1.14 . . . . 0.0 109.895 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -63.62 -32.83 74.42 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -78.87 -39.81 34.16 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.128 0.971 . . . . 0.0 112.796 173.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -66.81 -36.45 82.41 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.551 0.74 . . . . 0.0 111.772 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 63.4 tp . . . . . 0 CA--C 1.546 0.818 0 C-N-CA 126.301 1.84 . . . . 0.0 114.278 171.34 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -60.54 -48.66 80.81 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.775 -1.203 . . . . 0.0 110.353 168.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -61.1 -39.3 89.44 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -176.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.08 -33.4 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.156 0.889 . . . . 0.0 112.733 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -70.53 -39.03 74.3 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.504 0.721 . . . . 0.0 111.473 171.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.42 -51.94 60.65 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.564 1.946 . . . . 0.0 112.078 176.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -35.37 80.55 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -165.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.64 -34.32 60.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 118.528 0.604 . . . . 0.0 112.624 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -81.33 -39.21 25.49 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.659 0.784 . . . . 0.0 111.802 174.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.24 -28.09 68.46 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.446 1.098 . . . . 0.0 113.127 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -59.18 -47.19 86.21 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.218 1.007 . . . . 0.0 112.046 165.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -73.22 -38.25 66.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.435 1.094 . . . . 0.0 113.09 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.12 -11.05 59.56 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.319 1.048 . . . . 0.0 113.238 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.64 42.74 16.7 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.684 2.393 . . . . 0.0 113.782 179.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.4 mm -76.27 70.19 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.322 1.049 . . . . 0.0 112.327 -176.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 m 46.63 59.8 15.49 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 161.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -56.88 -28.08 75.52 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.116 2.544 . . . . 0.0 113.224 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -58.76 -30.11 67.28 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.948 0.899 . . . . 0.0 113.012 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.41 -45.83 91.32 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.715 0.806 . . . . 0.0 111.297 174.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mp -71.62 -39.5 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 O-C-N 121.792 -0.567 . . . . 0.0 109.945 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.74 -46.68 77.75 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 174.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -76.31 -34.29 59.04 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -41.03 99.32 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.517 0.727 . . . . 0.0 110.765 172.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.0 mt -54.68 -43.09 72.16 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.329 -1.482 . . . . 0.0 113.401 171.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.1 tp . . . . . 0 CA--C 1.545 0.786 0 C-N-CA 123.811 0.844 . . . . 0.0 112.883 177.685 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 CA--C 1.549 0.925 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -54.55 -55.71 26.49 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.409 1.083 . . . . 0.0 110.555 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -58.56 -31.42 67.97 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.722 1.209 . . . . 0.0 114.129 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.7 t -82.57 -36.74 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 118.808 0.731 . . . . 0.0 112.268 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.72 -41.46 75.29 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.476 -0.765 . . . . 0.0 111.206 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 tt -59.68 -49.22 78.58 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.232 1.813 . . . . 0.0 112.499 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -39.31 94.0 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.052 0.842 . . . . 0.0 113.038 -170.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 13.4 p -76.48 -37.73 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.337 0.655 . . . . 0.0 112.264 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.14 -42.16 84.85 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.336 -0.852 . . . . 0.0 111.528 173.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.55 -31.97 72.43 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.356 1.062 . . . . 0.0 113.327 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -63.66 -51.37 65.44 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.879 1.272 . . . . 0.0 111.815 167.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.79 -41.7 91.65 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.93 -9.14 59.45 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.101 1.36 . . . . 0.0 114.341 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 51.05 59.4 4.64 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.16 1.784 . . . . 0.0 113.564 -174.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 45.4 mm -69.89 168.7 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 123.507 0.723 . . . . 0.0 109.64 160.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.8 m -74.8 110.84 10.9 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.886 1.674 . . . . 0.0 113.762 173.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -79.45 -22.97 7.68 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.354 2.702 . . . . 0.0 112.214 163.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -56.65 -42.33 78.74 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.841 1.656 . . . . 0.0 113.012 -173.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.05 -44.9 91.85 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.701 0.8 . . . . 0.0 111.639 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -70.9 -48.72 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 C-N-CA 123.542 0.737 . . . . 0.0 110.444 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -54.31 -47.66 72.21 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.263 0.625 . . . . 0.0 112.538 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -75.43 -37.23 60.53 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -65.73 -45.7 81.64 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 119.001 -0.524 . . . . 0.0 111.566 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.4 tt . . . . . 0 CA--C 1.54 0.588 0 C-N-CA 124.381 1.072 . . . . 0.0 113.258 173.416 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -51.83 -52.39 49.67 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.276 1.398 . . . . 0.0 110.897 176.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -56.56 -36.8 69.73 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.225 1.41 . . . . 0.0 114.637 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.9 m -82.95 -26.67 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.717 1.144 . . . . 0.0 113.727 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -74.57 -44.29 51.61 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.29 0.95 . . . . 0.0 110.804 166.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tt -57.13 -48.14 79.4 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 127.359 2.264 . . . . 0.0 112.29 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -65.05 -34.16 77.76 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.746 0.703 . . . . 0.0 112.862 -174.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.94 -43.86 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.278 1.031 . . . . 0.0 111.339 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -71.67 -42.4 67.52 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.95 -0.468 . . . . 0.0 111.909 175.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -40.1 90.47 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -176.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -67.4 -38.37 84.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.749 0.704 . . . . 0.0 111.98 177.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -74.37 -42.22 59.69 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.463 1.105 . . . . 0.0 113.156 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.47 -8.23 59.7 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.263 1.025 . . . . 0.0 113.354 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.48 60.95 2.39 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.486 2.315 . . . . 0.0 113.346 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.3 mm -71.37 163.36 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.571 -0.706 . . . . 0.0 109.679 159.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.5 m -76.86 108.86 7.35 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.819 1.648 . . . . 0.0 113.194 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.08 -25.64 15.87 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.049 2.499 . . . . 0.0 113.21 172.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -59.94 -30.3 68.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.164 0.586 . . . . 0.0 111.952 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -59.77 -43.02 94.56 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.016 0.927 . . . . 0.0 112.138 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.412 HD11 ' H ' ' A' ' 38' ' ' ILE . 4.2 mp -76.27 -45.0 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 124.202 1.001 . . . . 0.0 110.045 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -56.01 -47.14 78.33 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.22 1.008 . . . . 0.0 112.507 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -72.31 -35.89 68.77 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.629 0.772 . . . . 0.0 112.997 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -51.49 65.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.478 1.111 . . . . 0.0 109.884 173.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.38 -42.66 78.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.177 1.391 . . . . 0.0 113.565 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.7 tp . . . . . 0 CA--C 1.542 0.67 0 C-N-CA 123.861 0.864 . . . . 0.0 112.569 177.318 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 CA--C 1.537 0.468 0 CA-C-O 119.141 -0.457 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -59.17 -44.11 92.15 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.124 0.874 . . . . 0.0 110.851 170.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -64.6 -27.98 69.32 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -75.58 -47.56 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.945 1.248 . . . . 0.0 111.473 167.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -60.47 -40.03 89.75 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.105 0.962 . . . . 0.0 112.277 -175.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.23 -47.78 55.26 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 118.428 -0.796 . . . . 0.0 111.47 172.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -35.98 76.47 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.179 1.354 . . . . 0.0 113.362 -166.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.72 -35.57 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 122.897 0.479 . . . . 0.0 112.219 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -82.11 -41.14 20.9 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.063 0.945 . . . . 0.0 112.605 176.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.92 -31.45 71.76 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.768 1.227 . . . . 0.0 113.679 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -63.9 -50.46 68.64 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.803 0.841 . . . . 0.0 111.459 173.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -71.48 -36.87 71.31 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.286 1.034 . . . . 0.0 113.081 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.2 -9.11 59.71 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.705 1.202 . . . . 0.0 113.206 174.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.73 53.8 10.05 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.823 2.049 . . . . 0.0 113.488 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 38.5 mm -70.84 165.8 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.549 -0.719 . . . . 0.0 109.135 162.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 38.8 m -77.48 110.16 11.75 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.592 1.157 . . . . 0.0 113.268 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.87 -22.82 14.73 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.872 2.382 . . . . 0.0 112.213 167.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -61.33 -30.23 70.38 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.421 -0.799 . . . . 0.0 112.464 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -60.07 -40.92 91.18 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.501 1.12 . . . . 0.0 112.101 174.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mp -76.92 -44.35 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 124.136 0.974 . . . . 0.0 109.935 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 52.2 ttt85 -53.94 -45.04 71.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.457 0.703 . . . . 0.0 112.774 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -73.63 -40.1 64.03 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.046 0.839 . . . . 0.0 113.091 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -42.36 98.33 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.887 0.875 . . . . 0.0 110.391 175.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 50.8 tp . . . . . 0 CA--C 1.545 0.766 0 C-N-CA 124.995 1.318 . . . . 0.0 114.353 174.33 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -71.27 151.52 44.17 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.987 0.915 . . . . 0.0 112.793 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -66.64 149.55 50.33 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.107 0.963 . . . . 0.0 112.583 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.8 tpt -149.01 142.13 24.94 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.696 1.598 . . . . 0.0 110.749 172.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.17 151.89 46.31 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.335 1.054 . . . . 0.0 113.185 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -154.68 160.47 41.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.32 1.448 . . . . 0.0 111.871 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.52 137.91 50.59 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.786 0.834 . . . . 0.0 111.036 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -70.76 -10.65 59.94 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -175.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -142.79 155.4 44.82 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.645 1.578 . . . . 0.0 111.902 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.42 153.81 40.26 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.471 1.108 . . . . 0.0 112.786 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -68.91 150.68 47.48 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.704 1.202 . . . . 0.0 111.696 173.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -123.53 160.07 27.77 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.679 1.592 . . . . 0.0 111.921 176.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -79.23 -1.82 38.23 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.365 1.066 . . . . 0.0 113.655 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -86.59 133.79 33.69 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.907 1.683 . . . . 0.0 111.376 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -139.87 150.27 44.42 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.278 1.031 . . . . 0.0 112.415 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -76.11 127.27 32.59 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.669 1.188 . . . . 0.0 112.547 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.26 149.39 15.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.903 1.681 . . . . 0.0 109.724 169.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -154.15 -73.02 0.13 Allowed 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.66 -17.61 57.53 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -162.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.85 -40.79 98.54 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.877 -1.14 . . . . 0.0 110.853 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -69.0 -36.29 77.66 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.605 1.162 . . . . 0.0 113.722 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.8 p -72.76 -39.5 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.36 0.982 . . . . 0.0 111.583 171.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -66.6 -44.14 82.95 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.455 0.702 . . . . 0.0 112.597 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 pp -65.95 -39.85 90.83 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.218 0.463 . . . . 0.0 111.496 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -63.54 -43.12 98.04 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.791 0.723 . . . . 0.0 112.863 -172.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.57 -42.22 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.136 0.574 . . . . 0.0 111.563 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -79.95 -35.43 37.68 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.43 -31.8 70.76 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.545 1.138 . . . . 0.0 113.623 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -68.13 -40.98 82.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.323 1.049 . . . . 0.0 112.632 174.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -74.81 -37.3 62.38 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.258 1.023 . . . . 0.0 112.425 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.17 -14.62 58.32 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.949 1.299 . . . . 0.0 113.415 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.6 t30 54.73 53.3 10.74 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.647 1.979 . . . . 0.0 113.442 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.4 mm -65.9 155.82 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 163.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.5 m -72.78 113.17 18.92 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 125.176 1.39 . . . . 0.0 112.845 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -72.44 -26.97 16.44 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.959 2.439 . . . . 0.0 112.833 169.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -59.92 -37.65 80.08 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.626 -0.671 . . . . 0.0 112.148 -173.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -56.73 -41.99 78.44 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.311 1.044 . . . . 0.0 112.24 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mp -74.89 -49.86 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 C-N-CA 123.325 0.65 . . . . 0.0 109.934 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -62.45 -35.56 79.68 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.198 0.908 . . . . 0.0 113.149 -174.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -73.47 -36.52 65.85 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.379 0.991 . . . . 0.0 113.368 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -52.34 62.64 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.469 1.108 . . . . 0.0 109.586 171.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.6 tp -55.69 -40.01 71.79 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.926 2.09 . . . . 0.0 114.284 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.1 tp -62.15 -37.35 84.87 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.137 0.975 . . . . 0.0 112.358 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 tt -72.42 -51.15 21.59 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.384 0.674 . . . . 0.0 110.858 168.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -84.85 41.45 0.86 Allowed 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -164.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -73.63 61.02 0.7 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.385 1.474 . . . . 0.0 110.661 170.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 164.22 23.04 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 127.662 2.385 . . . . 0.0 114.653 -168.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 t -160.51 152.03 19.55 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.303 1.841 . . . . 0.0 110.444 169.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.11 156.83 36.63 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.708 0.803 . . . . 0.0 113.11 174.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -66.24 133.5 94.58 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 123.914 0.886 . . . . 0.0 111.972 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -73.81 166.16 30.41 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.703 2.935 . . . . 0.0 113.323 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.15 163.34 54.54 Favored Glycine 0 CA--C 1.544 1.883 0 C-N-CA 123.835 0.731 . . . . 0.0 113.801 171.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.89 152.83 73.53 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.848 3.032 . . . . 0.0 112.792 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.71 -26.48 62.51 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 56.14 21.27 5.04 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.636 1.974 . . . . 0.0 115.756 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -71.15 144.35 50.24 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.214 1.406 . . . . 0.0 111.913 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.9 m -62.93 147.59 49.93 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.745 1.218 . . . . 0.0 112.836 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -153.37 148.97 27.33 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.056 1.342 . . . . 0.0 111.622 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.4 t -153.83 147.24 24.93 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.066 1.346 . . . . 0.0 111.287 174.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.5 t -86.84 58.64 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.916 1.286 . . . . 0.0 110.085 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -145.11 150.83 46.75 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 126.005 1.722 . . . . 0.0 111.532 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -69.09 160.07 51.35 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.502 2.801 . . . . 0.0 112.82 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.6 p90 . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.131 1.372 . . . . 0.0 113.323 174.683 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.529 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -64.68 150.15 47.73 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.608 1.163 . . . . 0.0 113.144 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -66.78 145.88 55.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.905 0.882 . . . . 0.0 112.445 177.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 24.8 ptp -156.74 160.3 39.15 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.615 1.566 . . . . 0.0 111.308 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.1 137.81 56.63 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.481 0.712 . . . . 0.0 112.074 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 14.6 t -78.35 156.97 29.26 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.412 1.085 . . . . 0.0 113.095 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 96.4 mtp -73.76 144.25 45.73 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.505 1.122 . . . . 0.0 111.938 175.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -74.73 132.8 41.93 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 128.299 2.639 . . . . 0.0 111.059 -8.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -75.86 -13.51 60.27 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 115.192 1.552 . . . . 0.0 115.192 -169.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.52 138.71 23.67 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.474 1.11 . . . . 0.0 112.461 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -80.5 151.24 29.32 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.238 1.415 . . . . 0.0 111.606 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -111.12 150.53 29.3 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.249 1.42 . . . . 0.0 111.186 167.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -107.86 15.14 24.76 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -169.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -67.41 123.38 20.23 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.104 -0.997 . . . . 0.0 111.485 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -79.31 168.93 18.85 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.56 1.144 . . . . 0.0 112.87 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -70.78 131.85 44.45 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.476 -0.765 . . . . 0.0 111.844 172.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.4 tp -62.37 -32.91 73.78 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.961 0.904 . . . . 0.0 111.905 172.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.72 -36.54 69.81 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.9 1.28 . . . . 0.0 113.745 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -75.67 -20.71 58.26 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -172.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -70.35 -52.22 24.24 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.149 0.886 . . . . 0.0 110.099 162.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -64.75 -33.78 76.79 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.017 1.327 . . . . 0.0 114.321 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 t -71.79 -45.43 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.825 1.25 . . . . 0.0 112.103 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -64.44 -45.48 87.33 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.802 0.728 . . . . 0.0 111.234 172.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 tt -56.99 -48.0 79.46 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.813 1.645 . . . . 0.0 111.455 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -46.77 87.57 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.102 0.961 . . . . 0.0 112.376 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 70.1 t -69.25 -46.13 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.479 0.711 . . . . 0.0 111.531 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -74.27 -39.06 63.24 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.434 -0.791 . . . . 0.0 113.077 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.37 -31.27 71.39 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.199 1.0 . . . . 0.0 113.296 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -60.01 -47.2 86.83 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.523 1.129 . . . . 0.0 112.007 169.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -74.72 -32.85 62.25 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.57 -16.27 56.21 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 23.2 m120 54.88 51.86 12.95 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.274 1.83 . . . . 0.0 113.432 -171.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 11.9 mm -68.3 166.72 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 162.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m -77.55 109.87 10.92 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 124.587 1.155 . . . . 0.0 113.613 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -75.21 -21.58 15.32 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.011 2.474 . . . . 0.0 112.783 167.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -60.43 -32.41 71.33 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.155 0.982 . . . . 0.0 112.205 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -59.87 -44.37 94.19 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.049 0.94 . . . . 0.0 112.025 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.402 ' H ' HD13 ' B' ' 38' ' ' ILE . 4.4 mp -72.93 -46.27 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 123.962 0.905 . . . . 0.0 109.765 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -63.01 -44.34 96.25 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -68.1 -36.86 80.46 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.418 1.008 . . . . 0.0 112.471 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.96 -49.5 65.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.313 0.645 . . . . 0.0 111.055 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 tp -53.02 -39.03 62.87 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.263 1.825 . . . . 0.0 114.0 175.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.3 mt -64.37 -25.57 68.09 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 68.4 tp -90.09 -47.64 7.69 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.205 1.002 . . . . 0.0 111.484 167.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -79.3 58.3 2.54 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 128.09 2.556 . . . . 0.0 111.502 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -77.18 45.11 0.44 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.472 1.509 . . . . 0.0 112.396 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -81.8 171.65 14.27 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.799 2.04 . . . . 0.0 113.306 -172.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 93.2 p -142.17 173.89 11.11 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.975 2.11 . . . . 0.0 110.478 171.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.51 143.1 51.04 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -151.8 157.83 34.28 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 125.935 1.694 . . . . 0.0 111.117 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -68.09 164.8 30.64 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.091 2.528 . . . . 0.0 112.174 172.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.58 146.17 45.02 Favored Glycine 0 CA--C 1.544 1.865 0 CA-C-O 119.405 -0.664 . . . . 0.0 113.733 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -71.85 157.86 54.18 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.689 2.926 . . . . 0.0 112.834 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.1 159.52 34.56 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.138 0.975 . . . . 0.0 112.6 171.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.69 155.12 40.6 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.158 1.383 . . . . 0.0 111.727 177.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -58.11 -30.4 66.26 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 125.017 1.327 . . . . 0.0 113.582 -176.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.9 m -70.62 -17.0 62.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.062 1.345 . . . . 0.0 114.449 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -70.91 139.31 50.69 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.168 0.895 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 12.3 t -157.9 156.74 31.87 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.242 1.417 . . . . 0.0 111.062 173.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 82.1 t -76.19 128.02 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.092 0.957 . . . . 0.0 110.043 174.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -70.41 150.14 95.73 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 123.34 0.656 . . . . 0.0 112.538 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -62.97 -24.75 74.02 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.137 2.558 . . . . 0.0 115.055 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 126.563 1.945 . . . . 0.0 111.793 -178.238 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.494 0 N-CA-C 111.723 -0.551 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -57.77 145.57 34.35 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.724 1.21 . . . . 0.0 112.922 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 53.57 28.96 8.43 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.902 1.281 . . . . 0.0 113.57 -175.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 94.7 mtp 55.8 18.91 3.17 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.568 2.347 . . . . 0.0 115.098 -172.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.47 151.76 38.0 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.309 1.043 . . . . 0.0 112.503 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.5 p -75.71 146.76 39.9 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.599 1.159 . . . . 0.0 112.327 172.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -74.44 145.0 44.0 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.366 1.066 . . . . 0.0 112.218 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -72.49 140.32 48.15 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.672 1.189 . . . . 0.0 110.907 172.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -70.66 116.76 11.35 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.85 0.86 . . . . 0.0 112.215 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.16 167.25 30.95 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.654 1.582 . . . . 0.0 111.515 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.38 142.64 57.73 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.115 0.966 . . . . 0.0 111.232 173.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -140.58 39.56 1.87 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.145 1.378 . . . . 0.0 112.607 -172.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -74.0 -8.38 55.92 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -83.24 143.57 30.35 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.634 1.574 . . . . 0.0 112.148 165.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -146.96 167.27 24.4 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.388 1.475 . . . . 0.0 111.939 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -142.08 157.29 45.08 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.581 1.552 . . . . 0.0 111.362 174.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.36 149.09 27.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.321 1.049 . . . . 0.0 112.015 -169.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -146.42 107.61 4.2 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.398 1.479 . . . . 0.0 111.014 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 58.58 -5.19 0.06 Allowed 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 118.858 2.91 . . . . 0.0 118.858 169.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -54.84 -40.6 69.78 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 121.138 1.79 . . . . 0.0 111.443 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -62.69 -25.65 68.26 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.448 1.499 . . . . 0.0 114.654 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -81.0 -44.99 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.19 0.905 . . . . 0.0 110.655 171.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.15 -39.56 93.17 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.152 0.981 . . . . 0.0 113.095 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 pp -70.12 -39.48 75.44 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.631 -0.668 . . . . 0.0 111.521 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -64.85 -44.94 88.14 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 118.965 0.802 . . . . 0.0 112.575 -171.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.3 -34.7 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -80.75 -35.13 33.73 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.504 -0.747 . . . . 0.0 112.84 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.9 73.11 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.019 -1.051 . . . . 0.0 113.455 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.03 -46.09 86.02 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.124 0.97 . . . . 0.0 112.355 170.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -70.28 -38.69 75.1 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.266 1.026 . . . . 0.0 112.2 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.43 -15.39 55.26 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.438 1.495 . . . . 0.0 114.209 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 54.96 50.98 14.33 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.101 1.76 . . . . 0.0 112.724 -173.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.1 mm -67.36 161.64 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 O-C-N 121.834 -0.542 . . . . 0.0 109.644 165.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.3 m -79.63 111.55 22.02 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.002 1.321 . . . . 0.0 113.438 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -72.76 -25.11 17.42 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 123.619 2.879 . . . . 0.0 112.99 168.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -60.8 -32.66 72.01 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.616 -0.678 . . . . 0.0 112.511 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -60.23 -41.96 94.24 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.544 1.138 . . . . 0.0 112.273 175.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.3 mp -74.64 -46.08 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.432 0.693 . . . . 0.0 109.961 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -59.7 -44.25 93.75 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.895 0.771 . . . . 0.0 112.944 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -67.08 -35.21 79.32 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 119.856 1.207 . . . . 0.0 113.091 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.01 -52.29 56.9 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.09 0.956 . . . . 0.0 110.058 172.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.48 -37.29 67.63 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.785 1.634 . . . . 0.0 114.181 176.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.7 mt -64.82 -27.23 68.74 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.3 tp -82.08 -55.27 4.67 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.9 0.773 . . . . 0.0 111.001 164.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -81.1 64.17 5.74 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.873 1.669 . . . . 0.0 110.394 -170.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -77.86 38.95 0.28 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.883 1.673 . . . . 0.0 112.657 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -74.96 163.1 27.99 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.633 1.973 . . . . 0.0 112.606 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -146.59 81.36 1.57 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.944 1.297 . . . . 0.0 110.525 170.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.25 43.51 26.33 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.133 1.773 . . . . 0.0 114.86 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -64.51 145.76 98.38 Favored Pre-proline 0 CA--C 1.55 0.968 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -174.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -77.28 -27.06 6.89 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 124.046 3.164 . . . . 0.0 113.821 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.94 166.39 39.67 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 126.016 1.769 . . . . 0.0 114.302 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.42 -23.97 37.27 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.695 2.93 . . . . 0.0 114.037 -171.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.36 -38.47 91.15 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.351 -0.843 . . . . 0.0 112.74 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.73 -35.73 72.83 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.919 0.887 . . . . 0.0 112.564 174.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -70.66 -36.26 73.28 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.471 1.108 . . . . 0.0 112.502 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.0 t -66.79 -31.59 72.32 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.543 1.137 . . . . 0.0 111.832 168.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 66.22 -20.12 0.1 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.75 2.82 . . . . 0.0 115.819 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.6 p -71.49 -36.36 71.09 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.545 1.938 . . . . 0.0 113.206 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 82.5 t -74.15 -44.91 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.409 1.083 . . . . 0.0 111.235 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -154.59 151.83 24.57 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 125.908 1.683 . . . . 0.0 109.858 167.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -65.61 156.04 65.86 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.364 2.043 . . . . 0.0 112.281 172.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.2 t80 . . . . . 0 C--O 1.255 1.346 0 C-N-CA 125.713 1.605 . . . . 0.0 112.105 174.257 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 57.7 p -71.87 167.41 20.08 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.982 0.913 . . . . 0.0 112.931 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -62.07 -17.81 58.68 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 175.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 71.5 mtm -71.14 -15.18 62.48 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.559 1.144 . . . . 0.0 113.489 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.3 -9.23 10.87 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -67.51 -13.62 62.21 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.098 1.359 . . . . 0.0 114.139 171.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 20.7 ptp -63.42 157.3 23.6 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.097 0.959 . . . . 0.0 112.522 174.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -73.45 68.65 1.14 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.653 1.581 . . . . 0.0 111.39 174.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -70.63 148.2 48.35 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.488 1.915 . . . . 0.0 113.14 -172.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.54 166.45 21.15 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.94 1.296 . . . . 0.0 113.039 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -144.56 148.4 34.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.613 1.565 . . . . 0.0 111.365 176.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -67.33 -9.25 39.25 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -66.1 -15.4 63.06 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -80.51 50.4 1.3 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.242 1.017 . . . . 0.0 113.657 -169.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -63.99 153.37 37.45 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.02 1.328 . . . . 0.0 112.568 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -150.51 150.73 31.66 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.734 1.213 . . . . 0.0 112.035 -177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.8 tp -68.72 143.1 54.81 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.26 1.424 . . . . 0.0 112.228 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -76.89 35.13 0.15 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 125.329 1.452 . . . . 0.0 113.984 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 57.6 8.36 0.64 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.724 2.41 . . . . 0.0 117.131 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.88 -54.47 28.89 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.802 1.637 . . . . 0.0 111.695 -174.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -60.32 -28.02 67.8 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.0 t -84.74 -42.95 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.669 0.787 . . . . 0.0 111.939 -175.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -66.48 -34.49 78.04 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.923 -0.486 . . . . 0.0 111.153 171.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.08 -54.44 30.0 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.398 1.879 . . . . 0.0 112.449 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -35.85 82.07 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -168.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.62 -38.44 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -78.46 -39.03 39.66 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.376 -0.827 . . . . 0.0 112.578 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.31 -31.25 71.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.118 0.967 . . . . 0.0 112.944 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -62.61 -52.0 65.11 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.616 1.166 . . . . 0.0 112.42 171.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -75.08 -31.69 61.29 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -176.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.06 -15.97 59.41 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.008 0.923 . . . . 0.0 112.927 170.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 54.09 54.18 10.02 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.518 2.327 . . . . 0.0 113.138 -176.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.06 165.65 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 159.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 49.8 m -78.01 109.04 8.73 Favored Pre-proline 0 CA--C 1.547 0.865 0 O-C-N 120.797 -1.189 . . . . 0.0 113.569 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -74.52 -21.48 16.98 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.949 2.433 . . . . 0.0 112.746 167.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -58.28 -34.93 71.06 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.533 0.733 . . . . 0.0 111.216 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -57.87 -42.36 84.38 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.236 1.015 . . . . 0.0 112.219 176.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.16 -45.21 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 123.715 0.806 . . . . 0.0 109.887 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -58.15 -42.63 86.33 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -75.11 -33.79 61.64 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.777 0.831 . . . . 0.0 113.084 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -47.48 79.88 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.287 0.635 . . . . 0.0 110.36 170.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.9 mt -53.17 -44.81 68.15 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.666 1.121 . . . . 0.0 112.758 171.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 63.9 tp -65.34 -40.54 93.8 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.852 0.861 . . . . 0.0 112.979 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 66.7 tp -72.04 -35.99 69.52 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.816 1.247 . . . . 0.0 112.078 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -74.57 -16.49 60.81 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.224 1.81 . . . . 0.0 112.263 174.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt 57.47 24.73 10.57 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 127.637 2.375 . . . . 0.0 114.104 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -88.32 143.9 26.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.354 1.462 . . . . 0.0 112.274 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 34.4 t -161.82 146.94 13.17 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.65 1.58 . . . . 0.0 110.55 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.3 142.76 54.23 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.698 0.799 . . . . 0.0 112.925 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -131.9 151.65 78.89 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 126.01 1.724 . . . . 0.0 111.497 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.66 -40.69 3.68 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.296 2.664 . . . . 0.0 113.843 -175.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 153.76 177.68 27.48 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.507 1.527 . . . . 0.0 113.885 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -70.04 157.34 60.18 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 124.077 3.185 . . . . 0.0 112.888 177.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.22 144.99 53.56 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.162 0.985 . . . . 0.0 112.623 175.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.15 163.26 23.23 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.736 1.215 . . . . 0.0 112.685 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.14 -35.53 77.33 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.377 1.071 . . . . 0.0 111.911 171.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -150.2 141.54 23.28 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.931 1.693 . . . . 0.0 110.031 162.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -91.56 0.76 57.47 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.438 1.095 . . . . 0.0 113.058 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 67.3 p -70.55 150.92 45.61 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.304 1.041 . . . . 0.0 112.598 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 m -75.51 153.3 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.272 1.029 . . . . 0.0 112.396 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -69.1 149.28 97.72 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 123.995 0.918 . . . . 0.0 111.81 173.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.4 157.04 63.48 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.31 2.673 . . . . 0.0 112.744 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 81.8 t80 . . . . . 0 C--O 1.255 1.35 0 C-N-CA 125.192 1.397 . . . . 0.0 112.529 176.322 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.986 -0.446 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 t -153.38 153.21 32.12 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.184 1.394 . . . . 0.0 111.629 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -152.66 164.28 38.03 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.479 1.512 . . . . 0.0 111.75 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -59.43 139.62 56.91 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.014 1.326 . . . . 0.0 112.252 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.97 161.76 41.26 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.352 1.461 . . . . 0.0 111.817 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -151.02 154.01 36.22 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.135 1.374 . . . . 0.0 111.937 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.1 ttm -66.57 -29.34 69.39 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.494 1.118 . . . . 0.0 112.529 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -153.94 121.53 5.88 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.164 1.385 . . . . 0.0 111.153 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -79.31 147.33 32.51 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.815 0.846 . . . . 0.0 111.827 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.57 -9.09 59.79 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -63.58 134.8 56.15 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.046 1.338 . . . . 0.0 112.719 -174.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -75.12 166.4 23.7 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.091 1.356 . . . . 0.0 112.527 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -68.39 -22.84 64.61 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 m80 49.2 51.23 16.64 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.365 1.466 . . . . 0.0 113.173 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -56.13 138.31 49.97 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.461 1.104 . . . . 0.0 113.438 -174.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -102.59 27.93 6.47 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.704 1.601 . . . . 0.0 112.099 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.3 tp -77.98 51.73 0.99 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.031 2.133 . . . . 0.0 113.959 -166.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -71.6 -42.4 67.75 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -169.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -122.45 -15.63 7.54 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -162.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -58.73 -42.2 88.22 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.289 1.404 . . . . 0.0 111.247 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -63.29 -28.33 69.95 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.427 1.491 . . . . 0.0 113.96 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.67 -46.29 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 118.892 0.769 . . . . 0.0 110.77 171.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -66.39 -32.52 73.96 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 pp -72.45 -45.54 59.11 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.017 0.826 . . . . 0.0 111.452 169.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -62.62 -42.58 99.67 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.975 0.91 . . . . 0.0 112.888 -171.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.2 p -62.16 -33.04 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.604 0.762 . . . . 0.0 112.932 -176.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -104.45 -29.51 10.65 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.94 -32.51 69.65 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.696 1.134 . . . . 0.0 113.46 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -66.16 -34.96 79.23 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 172.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -83.73 -34.92 24.76 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.132 1.373 . . . . 0.0 112.809 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.87 -15.09 58.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.991 1.317 . . . . 0.0 112.752 172.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m120 59.46 50.66 7.3 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 127.599 2.36 . . . . 0.0 113.231 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.4 mm -64.24 160.88 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.31 0.644 . . . . 0.0 109.676 164.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.8 m -76.27 112.38 20.73 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.897 1.279 . . . . 0.0 112.992 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -74.61 -22.47 15.71 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.238 2.625 . . . . 0.0 113.456 170.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.48 -38.2 83.5 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.394 0.677 . . . . 0.0 112.515 -169.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -56.53 -43.55 79.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.287 1.035 . . . . 0.0 111.993 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.423 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.0 mp -72.43 -51.84 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 C-N-CA 123.943 0.897 . . . . 0.0 109.453 176.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -56.81 -33.08 66.37 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.288 1.035 . . . . 0.0 112.919 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -86.23 -43.34 13.05 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.354 1.462 . . . . 0.0 114.038 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.78 -37.18 85.66 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.516 1.053 . . . . 0.0 111.697 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.4 tp -55.41 -24.94 32.91 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.876 2.07 . . . . 0.0 114.994 170.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -75.54 -35.13 60.76 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.3 0.955 . . . . 0.0 112.451 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.2 tp -79.72 -43.14 23.18 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.862 1.265 . . . . 0.0 112.409 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.33 109.85 4.36 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.424 1.09 . . . . 0.0 111.981 -166.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -81.04 -62.28 1.71 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.405 0.682 . . . . 0.0 111.338 167.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 mttp 56.66 -38.79 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 129.505 3.122 . . . . 0.0 116.969 -172.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.1 m -64.12 155.78 30.44 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.433 1.493 . . . . 0.0 112.841 173.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.27 160.04 41.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.096 1.358 . . . . 0.0 112.361 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -148.14 145.86 21.84 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 125.771 1.629 . . . . 0.0 111.205 -175.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -74.65 -41.89 0.7 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.021 2.481 . . . . 0.0 113.509 -174.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -87.72 166.96 36.3 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.158 1.361 . . . . 0.0 113.849 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -74.93 82.02 2.07 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 124.198 3.265 . . . . 0.0 111.453 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.5 -32.04 69.38 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 121.307 -0.871 . . . . 0.0 112.786 175.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.85 170.49 16.51 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.139 1.375 . . . . 0.0 112.439 170.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -67.49 -6.59 20.34 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.5 t -67.4 167.29 12.89 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.091 1.357 . . . . 0.0 113.135 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -67.78 163.94 20.63 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.804 1.242 . . . . 0.0 113.269 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -65.94 147.01 54.04 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.95 0.9 . . . . 0.0 110.87 172.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.0 p -59.26 143.43 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.27 1.028 . . . . 0.0 112.127 177.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 65.0 t30 50.85 60.29 14.97 Favored Pre-proline 0 CA--C 1.557 1.248 0 C-N-CA 125.704 1.602 . . . . 0.0 113.428 -175.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -68.28 158.28 58.23 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 123.58 2.853 . . . . 0.0 112.946 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 125.166 1.386 . . . . 0.0 113.11 176.691 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -78.48 54.19 1.41 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.832 1.653 . . . . 0.0 113.391 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -67.38 151.3 47.67 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.678 1.191 . . . . 0.0 112.985 -177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 59.2 tpp -67.31 -28.77 68.27 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.254 1.022 . . . . 0.0 113.192 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -149.71 165.07 33.49 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.729 1.612 . . . . 0.0 112.012 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -151.22 149.1 29.03 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.607 1.563 . . . . 0.0 111.132 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -62.29 -16.48 54.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.176 0.991 . . . . 0.0 113.566 174.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -73.61 -22.9 59.88 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.199 1.4 . . . . 0.0 113.11 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -72.45 156.91 38.55 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.254 1.022 . . . . 0.0 112.447 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.41 150.49 33.6 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.096 1.358 . . . . 0.0 111.832 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -153.79 151.25 29.35 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.092 1.757 . . . . 0.0 110.887 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -134.76 151.44 50.97 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.493 1.517 . . . . 0.0 111.019 175.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -81.35 6.65 13.73 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.479 1.112 . . . . 0.0 113.683 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -76.97 52.43 0.87 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.59 1.956 . . . . 0.0 112.712 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -66.26 157.27 31.95 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.324 1.45 . . . . 0.0 113.215 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -148.55 151.82 35.75 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.735 1.614 . . . . 0.0 111.161 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -132.8 147.24 52.31 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.331 1.452 . . . . 0.0 112.264 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -156.29 163.82 39.07 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.271 1.429 . . . . 0.0 111.467 -176.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 60.85 -39.6 0.1 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 129.573 3.149 . . . . 0.0 116.808 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.98 -42.59 63.05 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.533 1.515 . . . . 0.0 111.66 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -61.38 -29.48 69.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.165 1.386 . . . . 0.0 114.388 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -79.74 -44.22 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 119.106 0.866 . . . . 0.0 110.859 173.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.79 -42.55 97.7 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.372 0.669 . . . . 0.0 112.459 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.56 -38.96 77.65 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.599 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -51.02 68.91 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.771 1.169 . . . . 0.0 113.36 -169.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.42 -37.01 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 122.101 -0.374 . . . . 0.0 111.79 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -74.74 -38.85 62.15 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.032 0.933 . . . . 0.0 112.455 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.53 -34.26 76.74 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.609 1.164 . . . . 0.0 113.037 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -63.47 -44.97 92.9 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.316 1.046 . . . . 0.0 111.631 169.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -68.51 -40.27 80.91 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.789 0.836 . . . . 0.0 112.867 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.72 -12.74 55.41 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.197 1.399 . . . . 0.0 114.327 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 m120 56.25 57.22 5.14 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.537 1.935 . . . . 0.0 113.717 -173.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 37.3 mm -65.23 164.19 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 121.586 -0.696 . . . . 0.0 109.45 158.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 74.9 m -77.33 110.33 12.09 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.936 1.294 . . . . 0.0 113.053 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.8 -21.26 18.99 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.482 2.788 . . . . 0.0 112.963 169.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -56.45 -37.19 69.95 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.012 0.925 . . . . 0.0 111.669 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -59.16 -40.49 85.74 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.172 0.989 . . . . 0.0 112.532 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.3 mp -76.39 -45.21 34.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 123.924 0.89 . . . . 0.0 110.099 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -60.85 -44.15 97.39 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.724 0.81 . . . . 0.0 112.618 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -71.04 -35.0 71.81 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.113 0.869 . . . . 0.0 113.03 178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -53.27 56.83 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.223 1.009 . . . . 0.0 109.634 170.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 65.4 tp -55.85 -34.02 65.06 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.06 1.744 . . . . 0.0 114.721 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.07 -31.56 72.79 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.122 0.873 . . . . 0.0 113.14 175.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 86.8 mt -88.95 -50.81 5.96 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.634 1.174 . . . . 0.0 111.37 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -77.68 59.3 1.97 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.739 2.416 . . . . 0.0 110.086 172.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -77.84 40.71 0.32 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.849 1.66 . . . . 0.0 112.807 -176.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -84.71 168.01 15.62 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.512 2.325 . . . . 0.0 112.843 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 88.3 p -155.55 164.65 38.37 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.021 1.728 . . . . 0.0 111.068 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.73 142.65 56.21 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.555 0.742 . . . . 0.0 112.465 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -73.51 148.29 87.85 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 123.934 0.894 . . . . 0.0 112.618 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.32 172.97 13.84 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 123.628 2.885 . . . . 0.0 113.02 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.24 -133.89 0.63 Allowed Glycine 0 CA--C 1.544 1.902 0 C-N-CA 125.709 1.624 . . . . 0.0 113.4 173.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -56.7 -14.49 13.58 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.07 3.18 . . . . 0.0 116.526 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.26 -12.74 61.51 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.656 1.183 . . . . 0.0 114.108 170.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.42 -10.06 52.67 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.044 1.337 . . . . 0.0 114.587 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -59.57 159.44 8.39 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.848 1.659 . . . . 0.0 113.932 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.4 p -69.93 -17.45 63.32 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -175.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -146.5 125.4 12.73 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.99 1.316 . . . . 0.0 111.44 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 43.0 p -68.69 -35.28 76.98 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 121.328 -0.857 . . . . 0.0 112.472 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 35.9 m -135.89 165.16 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 127.15 2.18 . . . . 0.0 110.528 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -55.92 126.76 66.98 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 123.73 0.812 . . . . 0.0 111.737 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -59.93 148.11 90.06 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.221 2.614 . . . . 0.0 114.921 -175.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.533 1.533 . . . . 0.0 113.24 179.215 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.116 -0.394 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -66.91 155.7 37.74 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.472 1.109 . . . . 0.0 112.903 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 58.39 18.99 6.0 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.134 1.774 . . . . 0.0 115.437 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.1 tpt -68.2 143.87 55.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.589 1.156 . . . . 0.0 112.285 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.19 149.59 50.26 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.448 1.099 . . . . 0.0 113.035 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 m -71.8 -20.78 61.8 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 73.7 mtm 54.11 29.5 10.48 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.468 1.907 . . . . 0.0 114.436 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -69.74 157.82 36.59 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.328 1.451 . . . . 0.0 113.283 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -70.03 160.25 32.32 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.21 1.004 . . . . 0.0 112.602 174.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.52 157.98 30.83 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.285 1.034 . . . . 0.0 113.17 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -67.71 169.33 9.7 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.027 1.331 . . . . 0.0 113.683 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -66.5 143.74 56.89 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.614 0.766 . . . . 0.0 111.604 165.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -103.83 21.89 15.47 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -170.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -72.68 151.44 42.23 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.979 0.912 . . . . 0.0 112.281 172.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.33 167.32 22.74 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.429 1.492 . . . . 0.0 112.249 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -144.28 153.98 42.6 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.243 1.817 . . . . 0.0 109.698 167.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 tt -146.25 124.69 12.37 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.689 0.796 . . . . 0.0 111.167 -172.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -77.76 102.1 7.01 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.549 1.14 . . . . 0.0 113.191 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 62.45 -17.4 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 118.707 2.855 . . . . 0.0 118.707 161.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -51.84 -49.18 63.36 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 120.963 1.71 . . . . 0.0 111.398 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -56.64 -31.97 64.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.663 1.585 . . . . 0.0 114.587 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.9 t -81.47 -43.13 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.094 0.558 . . . . 0.0 111.578 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -64.65 -40.81 96.08 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.218 0.532 . . . . 0.0 111.033 171.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tt -58.31 -51.67 68.8 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.249 1.819 . . . . 0.0 111.715 175.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -62.28 -33.97 75.66 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.617 1.099 . . . . 0.0 113.132 -172.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.8 t -72.37 -48.8 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.622 0.769 . . . . 0.0 111.362 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -73.32 -37.5 66.14 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.646 -0.659 . . . . 0.0 112.363 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.34 -31.1 69.32 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.192 0.997 . . . . 0.0 113.351 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.4 -40.61 93.63 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.937 1.295 . . . . 0.0 112.473 169.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -69.89 -42.15 73.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.259 0.623 . . . . 0.0 112.296 173.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.9 -16.68 49.8 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 115.416 1.635 . . . . 0.0 115.416 -176.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 57.34 71.24 0.59 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.393 1.877 . . . . 0.0 113.187 -172.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.8 mm -105.25 69.75 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.123 1.369 . . . . 0.0 111.648 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 m 45.46 62.37 10.87 Favored Pre-proline 0 CA--C 1.554 1.097 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 162.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -58.08 -22.87 58.02 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 123.692 2.928 . . . . 0.0 114.042 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -56.83 -35.03 68.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.375 1.07 . . . . 0.0 113.03 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -58.38 -38.67 77.77 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.301 0.955 . . . . 0.0 112.13 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 mp -82.38 -48.39 18.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 125.241 1.416 . . . . 0.0 109.898 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -59.67 -36.57 76.7 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.076 0.95 . . . . 0.0 112.845 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -76.24 -42.05 47.09 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.36 1.064 . . . . 0.0 112.733 174.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.07 -35.94 80.93 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.506 0.594 . . . . 0.0 111.135 -176.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.8 mt -54.65 -25.36 26.33 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 170.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.5 mt -76.11 -32.69 59.31 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.54 1.064 . . . . 0.0 112.662 175.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.6 tp -89.07 -35.79 16.13 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.738 1.615 . . . . 0.0 113.203 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -62.97 112.18 2.48 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.905 1.282 . . . . 0.0 113.03 -162.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -77.63 -0.73 27.7 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -60.44 155.69 17.71 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.731 1.151 . . . . 0.0 111.456 172.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.8 m 60.21 11.83 3.0 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.207 1.803 . . . . 0.0 115.58 -156.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 53.57 34.92 19.64 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.51 1.924 . . . . 0.0 115.703 165.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -66.28 142.25 97.72 Favored Pre-proline 0 CA--C 1.552 1.022 0 O-C-N 121.294 -0.879 . . . . 0.0 112.242 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -72.27 164.06 36.78 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 123.608 2.872 . . . . 0.0 112.955 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.95 149.85 45.14 Favored Glycine 0 CA--C 1.542 1.749 0 C-N-CA 123.576 0.608 . . . . 0.0 113.012 172.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -67.01 141.2 57.13 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.293 2.662 . . . . 0.0 112.236 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 54.64 23.71 4.93 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.125 1.77 . . . . 0.0 115.674 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.43 143.9 56.83 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.129 -0.982 . . . . 0.0 112.665 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -142.92 157.41 44.6 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.431 1.892 . . . . 0.0 111.753 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -78.03 142.71 38.04 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.152 0.981 . . . . 0.0 111.686 172.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -142.69 158.67 43.42 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.902 1.681 . . . . 0.0 111.727 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.5 t -151.91 155.74 38.7 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.85 1.26 . . . . 0.0 112.044 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.4 m -78.56 -13.43 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.841 1.256 . . . . 0.0 113.303 172.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -68.91 153.54 95.93 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.111 0.964 . . . . 0.0 112.958 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -60.38 159.58 26.68 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 123.722 2.948 . . . . 0.0 114.672 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 127.04 2.136 . . . . 0.0 113.762 176.033 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.5 t -153.62 159.46 42.12 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.276 1.43 . . . . 0.0 111.448 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -68.69 136.51 53.02 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.096 0.959 . . . . 0.0 112.368 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 94.1 mtp -88.16 -2.87 58.86 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.838 1.255 . . . . 0.0 114.373 -173.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.02 176.35 9.36 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.881 1.672 . . . . 0.0 111.978 -175.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t -141.66 153.66 44.85 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.529 1.532 . . . . 0.0 111.662 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 64.4 ttp -67.51 -29.97 69.52 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.604 1.161 . . . . 0.0 112.965 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -64.56 118.17 8.43 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.299 1.04 . . . . 0.0 111.188 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -145.96 -14.25 0.47 Allowed 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -174.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.54 145.36 47.5 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.889 0.876 . . . . 0.0 113.051 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -155.72 148.7 24.39 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.884 1.673 . . . . 0.0 111.103 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -116.17 150.64 37.11 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.24 1.416 . . . . 0.0 111.283 168.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -77.66 142.83 38.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.986 0.914 . . . . 0.0 112.776 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -80.81 -19.82 43.85 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -75.22 143.2 43.25 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -162.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.07 -6.76 1.62 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.198 1.799 . . . . 0.0 113.898 175.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.3 -26.0 64.6 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.846 1.658 . . . . 0.0 113.48 -178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -58.01 -24.84 59.89 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.466 1.507 . . . . 0.0 113.885 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -95.66 -17.71 21.1 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.48 1.112 . . . . 0.0 113.546 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -61.04 -44.34 97.54 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.363 0.983 . . . . 0.0 110.241 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -62.9 -38.74 92.17 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.774 1.229 . . . . 0.0 114.315 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 8.6 m -76.48 -31.8 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.329 0.968 . . . . 0.0 112.067 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -72.89 -44.78 60.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.771 0.829 . . . . 0.0 112.265 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 pp -66.64 -37.03 83.97 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.685 177.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -58.73 -51.65 69.05 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.464 1.029 . . . . 0.0 112.782 -171.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.43 -44.65 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 123.482 0.713 . . . . 0.0 111.189 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -67.16 -40.63 86.68 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.31 0.644 . . . . 0.0 112.116 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.95 -33.92 75.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.467 1.107 . . . . 0.0 113.615 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -69.85 -41.16 75.26 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.91 1.284 . . . . 0.0 112.254 172.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -70.03 -45.69 66.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.755 0.822 . . . . 0.0 112.447 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.85 -0.76 57.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.07 1.348 . . . . 0.0 114.507 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 60.7 t30 54.72 56.82 6.29 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.836 1.655 . . . . 0.0 113.998 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 45.0 mm -65.93 167.87 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 158.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -67.83 118.85 61.89 Favored Pre-proline 0 N--CA 1.475 0.786 0 O-C-N 120.487 -1.383 . . . . 0.0 112.426 170.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -84.25 -28.58 1.12 Allowed 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.564 2.176 . . . . 0.0 111.838 160.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.74 -34.33 76.97 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.218 -0.926 . . . . 0.0 112.043 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -56.68 -38.18 71.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.372 0.669 . . . . 0.0 112.558 174.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -79.52 -51.16 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.559 1.143 . . . . 0.0 110.845 174.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -61.0 -36.5 79.64 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.998 0.817 . . . . 0.0 113.159 -175.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.7 pttm -71.8 -37.8 70.35 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.341 0.973 . . . . 0.0 112.832 175.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -67.4 -45.73 75.3 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.612 1.565 . . . . 0.0 110.238 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.3 tp -52.88 -47.29 67.99 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.237 1.815 . . . . 0.0 113.318 173.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.3 mt -62.97 -25.24 68.27 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 90.0 mt -93.4 -17.54 23.39 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.611 1.564 . . . . 0.0 113.908 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -143.8 31.97 1.28 Allowed 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.892 1.442 . . . . 0.0 114.892 -159.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -61.88 -32.27 72.62 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.175 -0.953 . . . . 0.0 113.282 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . 0.27 23.0 pttm 45.96 -146.63 0.15 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 128.238 2.615 . . . . 0.0 114.522 166.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.5 m 53.69 39.9 30.79 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.557 1.543 . . . . 0.0 114.329 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 55.48 38.11 29.81 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.018 1.727 . . . . 0.0 114.638 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -55.1 136.38 67.59 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 124.379 1.072 . . . . 0.0 111.832 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -65.89 159.43 48.97 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.383 2.722 . . . . 0.0 113.522 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.36 -77.72 0.24 Allowed Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.52 1.533 . . . . 0.0 111.753 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -61.6 156.14 49.2 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.83 3.02 . . . . 0.0 114.02 176.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . 52.97 41.42 32.09 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.743 1.617 . . . . 0.0 114.705 172.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.63 148.07 43.72 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.361 1.065 . . . . 0.0 112.973 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -119.31 19.75 12.71 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.735 1.614 . . . . 0.0 113.93 -170.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.3 m -59.64 141.52 54.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.19 1.396 . . . . 0.0 113.022 -177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -70.72 153.28 42.95 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.258 1.023 . . . . 0.0 112.828 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 33.2 p -69.83 141.44 53.28 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.362 1.065 . . . . 0.0 112.111 174.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 67.4 t -76.67 134.03 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.329 1.052 . . . . 0.0 110.621 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -71.55 147.66 92.5 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 123.845 0.858 . . . . 0.0 112.548 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.33 152.5 79.04 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.335 2.69 . . . . 0.0 112.747 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 81.1 t80 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.234 1.414 . . . . 0.0 112.573 176.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -68.99 149.76 48.44 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.952 0.901 . . . . 0.0 112.65 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -73.64 105.76 5.1 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.012 0.925 . . . . 0.0 110.925 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 99.6 mmm -74.87 154.06 38.39 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.434 1.093 . . . . 0.0 112.822 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.77 -19.84 64.38 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 m -73.57 -17.3 61.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.13 1.372 . . . . 0.0 114.072 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 65.6 mtt -78.72 146.91 33.66 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.542 1.137 . . . . 0.0 111.781 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -59.28 -29.87 67.9 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.968 1.469 . . . . 0.0 114.968 -166.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -73.86 -9.47 58.68 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.62 -6.98 44.92 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -138.66 165.17 27.62 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.021 1.728 . . . . 0.0 112.537 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -146.76 36.22 0.95 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.409 1.484 . . . . 0.0 112.281 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 53.73 51.21 15.41 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.395 1.878 . . . . 0.0 114.362 174.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -67.5 137.99 56.21 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.261 -0.899 . . . . 0.0 111.963 168.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -157.99 160.9 37.99 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.113 1.765 . . . . 0.0 111.244 172.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 -74.79 -24.07 58.6 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.921 1.288 . . . . 0.0 113.761 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.97 161.77 23.48 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.668 1.987 . . . . 0.0 112.114 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -75.54 165.2 25.46 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 130.1 3.36 . . . . 0.0 114.915 2.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 61.93 -1.22 0.38 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 169.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -52.74 -53.52 46.74 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.07 1.305 . . . . 0.0 110.818 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -59.78 -32.24 70.42 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.531 1.532 . . . . 0.0 115.078 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -76.73 -47.28 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.153 0.888 . . . . 0.0 111.485 -174.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -66.3 -42.95 87.59 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.935 -0.478 . . . . 0.0 111.043 173.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tt -53.82 -49.24 68.81 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.5 1.52 . . . . 0.0 111.583 174.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -58.98 -48.08 82.82 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.821 0.849 . . . . 0.0 112.26 -177.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.89 -49.24 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 123.61 0.764 . . . . 0.0 111.219 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -65.7 -38.24 88.67 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.631 -0.668 . . . . 0.0 112.514 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.9 -33.57 72.36 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -63.24 -48.75 76.91 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.766 0.826 . . . . 0.0 111.173 168.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -65.74 -36.01 82.37 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.62 -18.18 45.6 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 177.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 50.13 62.61 2.58 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.693 1.597 . . . . 0.0 111.813 -164.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.9 mm -67.61 171.61 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 155.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.7 m -82.59 106.24 6.35 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 125.752 1.621 . . . . 0.0 113.693 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.72 -30.24 9.75 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.346 2.698 . . . . 0.0 114.284 174.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -63.66 -28.39 69.87 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.679 -0.638 . . . . 0.0 112.235 -173.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.46 -40.59 91.77 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.71 1.204 . . . . 0.0 112.46 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mp -74.84 -46.43 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 123.32 0.648 . . . . 0.0 110.116 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 ttp85 -55.43 -49.65 71.86 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 118.689 0.677 . . . . 0.0 112.597 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -65.82 -38.06 87.92 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.34 0.973 . . . . 0.0 112.753 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.43 -49.29 67.23 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.05 0.94 . . . . 0.0 110.437 176.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.2 -48.68 73.49 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.756 1.222 . . . . 0.0 112.715 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.01 -30.98 71.61 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.6 tp -71.59 -47.95 51.43 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.763 0.71 . . . . 0.0 111.582 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -84.65 53.22 2.61 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.909 1.284 . . . . 0.0 112.709 -165.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -73.18 59.93 0.56 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.747 2.019 . . . . 0.0 111.427 175.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -69.39 160.14 31.88 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 128.431 2.692 . . . . 0.0 113.946 -172.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t -154.23 159.76 41.49 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.799 1.64 . . . . 0.0 111.231 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.6 -26.01 66.89 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.275 1.03 . . . . 0.0 113.553 177.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -156.34 156.38 30.12 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.44 1.496 . . . . 0.0 111.443 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -68.31 166.19 26.2 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.242 2.628 . . . . 0.0 112.126 169.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.35 150.35 50.81 Favored Glycine 0 CA--C 1.544 1.849 0 O-C-N 121.647 -0.658 . . . . 0.0 113.069 173.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -70.09 139.55 39.36 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.422 2.748 . . . . 0.0 112.618 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 59.22 166.74 0.06 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 127.447 2.299 . . . . 0.0 116.006 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.83 144.61 43.38 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.222 -0.924 . . . . 0.0 111.984 173.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -74.05 135.29 43.03 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.347 1.059 . . . . 0.0 111.374 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.9 p -74.59 48.52 0.36 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.591 1.956 . . . . 0.0 112.951 173.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -72.25 -15.89 61.92 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.223 1.809 . . . . 0.0 114.754 -170.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.9 t -153.83 158.97 41.63 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.912 1.285 . . . . 0.0 111.939 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.0 p -74.77 150.66 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.012 1.325 . . . . 0.0 111.954 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -65.44 150.66 95.6 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 123.675 0.79 . . . . 0.0 112.311 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -70.86 149.47 59.94 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.181 2.587 . . . . 0.0 112.232 173.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.417 1.887 . . . . 0.0 111.609 177.518 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -70.11 159.35 34.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.635 1.174 . . . . 0.0 112.903 176.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -155.29 154.23 31.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.968 1.307 . . . . 0.0 112.636 -176.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 97.0 mtp -64.38 -12.56 43.91 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.944 1.298 . . . . 0.0 114.435 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.36 -17.18 64.62 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 170.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -78.51 -1.32 33.28 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.3 ptp -149.22 164.21 35.43 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.267 1.427 . . . . 0.0 112.316 -169.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -72.94 142.19 47.83 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.821 0.849 . . . . 0.0 110.983 170.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -125.23 10.61 8.08 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.062 1.345 . . . . 0.0 113.696 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.01 163.77 27.29 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.961 1.304 . . . . 0.0 113.209 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -148.26 166.6 27.49 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.895 1.678 . . . . 0.0 112.253 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -73.03 122.8 22.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 122.777 0.431 . . . . 0.0 110.415 164.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -77.64 -17.08 58.1 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -149.37 126.73 11.48 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.658 1.983 . . . . 0.0 109.436 173.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -78.15 136.95 37.94 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.076 0.55 . . . . 0.0 112.286 -171.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -77.04 126.57 31.18 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.602 0.761 . . . . 0.0 112.217 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 55.1 tp 58.97 -50.99 0.06 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 129.608 3.163 . . . . 0.0 117.262 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -69.75 152.37 44.71 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.485 1.114 . . . . 0.0 112.837 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 59.05 -27.39 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.893 2.877 . . . . 0.0 116.024 -172.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -53.47 -44.03 68.62 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.204 1.365 . . . . 0.0 111.42 174.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -63.58 -29.62 70.85 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.622 1.169 . . . . 0.0 113.97 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.2 t -77.54 -45.62 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.921 0.782 . . . . 0.0 110.778 171.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -63.71 -38.33 90.72 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.382 1.473 . . . . 0.0 112.887 -176.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 pp -69.86 -47.69 61.68 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.913 -0.492 . . . . 0.0 110.842 170.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -66.85 -41.15 87.85 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.031 0.832 . . . . 0.0 113.035 -168.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.52 -33.73 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -91.06 -41.31 11.14 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.987 0.915 . . . . 0.0 113.094 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -28.92 70.4 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.554 1.142 . . . . 0.0 113.718 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -65.61 -33.53 76.12 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.056 1.342 . . . . 0.0 113.078 171.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -80.7 -39.24 27.49 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.44 0.696 . . . . 0.0 112.097 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.51 -14.3 57.1 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 58.33 51.72 8.04 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.437 1.895 . . . . 0.0 114.021 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 37.7 mm -76.27 67.3 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.621 1.168 . . . . 0.0 111.787 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 25.1 m 47.61 59.91 15.96 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -61.14 -22.94 76.21 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.069 2.513 . . . . 0.0 113.356 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -56.58 -34.3 67.02 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.515 -0.74 . . . . 0.0 111.998 173.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.59 -43.83 96.94 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.232 0.924 . . . . 0.0 111.871 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.4 mp -73.72 -43.08 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 123.302 0.641 . . . . 0.0 110.185 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 50.8 ttp85 -61.59 -44.79 96.36 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -68.61 -33.75 74.57 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.976 1.262 . . . . 0.0 112.531 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -49.65 75.2 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.497 0.719 . . . . 0.0 110.594 169.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 50.1 mt -53.54 -45.8 69.95 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 120.259 1.391 . . . . 0.0 113.177 172.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.23 -24.75 66.66 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.575 1.15 . . . . 0.0 113.969 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 84.3 mt -85.32 -37.46 19.92 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.362 1.065 . . . . 0.0 112.55 169.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -65.83 -39.07 90.48 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.838 1.655 . . . . 0.0 113.367 -176.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? 50.36 40.52 22.91 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.484 1.514 . . . . 0.0 114.616 168.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 168.91 3.21 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.811 1.644 . . . . 0.0 114.265 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -148.1 162.33 39.62 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.846 1.659 . . . . 0.0 111.014 174.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.28 142.58 58.33 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.193 0.997 . . . . 0.0 112.794 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -69.56 134.17 88.65 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 123.738 0.815 . . . . 0.0 111.311 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.55 152.67 70.42 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 123.145 2.563 . . . . 0.0 113.089 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.47 164.41 29.93 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.587 1.089 . . . . 0.0 113.158 176.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -67.17 -20.56 49.63 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.704 2.936 . . . . 0.0 114.004 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.34 -18.99 60.62 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 176.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.75 137.4 43.94 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.701 0.8 . . . . 0.0 112.287 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -155.81 157.87 37.17 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.319 1.447 . . . . 0.0 111.608 178.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.8 t -69.43 177.25 2.96 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.173 0.989 . . . . 0.0 112.262 171.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -66.5 -32.16 73.34 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.195 -0.94 . . . . 0.0 112.1 170.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 5.4 t -77.51 157.79 30.23 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.964 1.306 . . . . 0.0 111.358 165.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.22 -21.78 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.28 1.032 . . . . 0.0 112.747 171.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -63.57 145.33 97.42 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 124.36 1.064 . . . . 0.0 111.626 175.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -63.84 167.54 13.62 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 122.55 2.167 . . . . 0.0 112.262 167.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.074 1.35 . . . . 0.0 113.342 179.026 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -72.58 -16.95 61.74 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 -172.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 67.2 m80 54.75 29.81 12.44 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.628 1.571 . . . . 0.0 114.192 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 54.5 tpp -69.38 145.25 53.05 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.713 1.205 . . . . 0.0 111.98 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.83 153.17 37.72 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.888 1.275 . . . . 0.0 112.285 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -81.82 -1.68 48.31 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.592 1.557 . . . . 0.0 114.564 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 76.8 mtm -63.04 141.02 58.92 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.899 1.279 . . . . 0.0 113.104 -175.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -71.92 144.18 49.05 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.067 1.347 . . . . 0.0 111.757 177.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -69.91 156.5 38.99 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.258 1.023 . . . . 0.0 112.766 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.46 155.95 41.22 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.293 1.437 . . . . 0.0 111.972 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -68.79 140.58 55.3 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.545 1.138 . . . . 0.0 112.445 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -68.75 161.73 27.73 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.347 1.459 . . . . 0.0 112.364 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.1 mp0 -71.57 13.98 0.22 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.126 1.77 . . . . 0.0 113.781 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -69.01 -31.6 70.54 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.4 1.48 . . . . 0.0 112.03 174.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 50.32 36.5 13.03 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.271 1.429 . . . . 0.0 112.458 -170.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -60.97 139.52 58.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.236 1.414 . . . . 0.0 111.955 -175.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -148.85 151.48 34.8 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.618 1.567 . . . . 0.0 110.56 -176.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -162.61 -58.63 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.986 1.315 . . . . 0.0 112.261 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -69.76 -32.72 71.39 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -167.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.59 -42.3 98.29 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.609 1.095 . . . . 0.0 110.645 171.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -69.05 -37.84 78.78 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.925 1.29 . . . . 0.0 113.722 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.1 m -73.89 -33.21 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-N 119.809 1.186 . . . . 0.0 112.579 172.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -67.57 -48.6 66.43 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.677 0.671 . . . . 0.0 111.583 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.16 -36.21 82.5 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 118.021 -0.99 . . . . 0.0 111.999 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -33.79 76.82 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.482 1.492 . . . . 0.0 113.435 -171.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.1 t -74.67 -47.75 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.884 0.873 . . . . 0.0 110.715 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -67.53 -36.45 81.04 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.523 -0.736 . . . . 0.0 112.369 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.97 -31.55 68.14 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.416 1.087 . . . . 0.0 113.61 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -63.0 -48.93 76.69 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.314 1.046 . . . . 0.0 111.071 169.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -71.95 -35.9 69.72 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.62 -4.41 56.05 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.509 1.123 . . . . 0.0 113.418 172.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 47.68 56.19 7.44 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 127.118 2.167 . . . . 0.0 113.414 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.7 mm -72.2 173.39 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.943 1.297 . . . . 0.0 110.096 170.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.0 m -78.47 107.34 5.56 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 124.998 1.319 . . . . 0.0 113.225 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.09 -25.8 22.15 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.658 2.239 . . . . 0.0 112.654 166.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -58.09 -33.28 68.91 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.759 0.824 . . . . 0.0 112.104 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -57.07 -39.06 74.22 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.591 1.157 . . . . 0.0 112.428 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -81.52 -45.38 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 125.098 1.359 . . . . 0.0 109.974 176.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -58.52 -39.87 81.32 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.635 1.174 . . . . 0.0 113.358 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -74.66 -38.12 62.52 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.466 1.106 . . . . 0.0 112.679 174.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -67.49 -36.33 80.89 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.952 1.301 . . . . 0.0 110.702 -177.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.7 mt -54.64 -25.65 28.07 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 170.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.3 mt -81.15 -36.84 29.73 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.42 1.009 . . . . 0.0 112.676 174.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.8 tp -80.43 -32.66 37.32 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.97 1.708 . . . . 0.0 113.686 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -65.07 118.54 9.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.38 1.072 . . . . 0.0 113.657 -161.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -117.02 18.78 14.55 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.316 1.846 . . . . 0.0 113.563 173.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.65 156.68 32.13 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.449 1.1 . . . . 0.0 112.267 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.7 t -71.09 133.76 46.5 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.443 0.697 . . . . 0.0 112.559 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -165.55 148.11 7.68 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.496 2.318 . . . . 0.0 109.396 170.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -144.18 144.38 25.79 Favored Pre-proline 0 CA--C 1.545 0.75 0 C-N-CA 124.057 0.943 . . . . 0.0 111.701 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.79 -26.22 16.12 Favored 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 123.136 2.558 . . . . 0.0 113.504 175.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.91 -122.22 23.69 Favored Glycine 0 CA--C 1.539 1.592 0 CA-C-O 118.638 -1.09 . . . . 0.0 110.864 -173.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -73.64 -11.3 24.12 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 123.534 2.823 . . . . 0.0 114.301 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.2 -17.18 63.15 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -173.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.12 -4.76 10.02 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -174.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -152.29 147.42 26.33 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.759 1.224 . . . . 0.0 111.7 -175.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.3 m -58.92 -26.72 64.6 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.306 1.442 . . . . 0.0 114.34 -175.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -122.87 144.84 48.94 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.207 1.403 . . . . 0.0 109.093 158.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.8 t -53.35 144.61 16.06 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -173.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.0 m -75.98 -5.41 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.995 0.918 . . . . 0.0 113.243 170.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -132.07 77.18 71.99 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 125.742 1.617 . . . . 0.0 110.767 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -60.41 147.22 94.85 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.645 2.897 . . . . 0.0 114.667 -175.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 37.8 p90 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 125.601 1.561 . . . . 0.0 113.223 174.005 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -153.65 160.28 42.33 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.949 1.3 . . . . 0.0 112.145 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -73.36 -23.45 60.2 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 55.8 ttm -155.22 122.07 5.41 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.786 1.634 . . . . 0.0 110.264 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.7 -35.06 70.11 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 44.3 t -159.22 145.85 16.79 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.415 1.486 . . . . 0.0 111.547 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 95.2 mtp -77.95 -10.81 59.77 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.59 1.156 . . . . 0.0 113.434 174.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -65.72 146.39 54.85 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.743 1.217 . . . . 0.0 112.368 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -65.17 159.16 24.15 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.584 1.154 . . . . 0.0 112.345 171.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.1 154.94 40.0 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.278 1.031 . . . . 0.0 112.902 176.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -62.01 132.6 53.46 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.199 1.0 . . . . 0.0 111.921 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -87.09 176.26 7.7 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.079 1.352 . . . . 0.0 112.507 177.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -71.24 -3.86 22.63 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.179 1.392 . . . . 0.0 114.683 -175.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -78.02 59.26 2.13 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.866 1.666 . . . . 0.0 112.604 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -62.76 149.64 43.44 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.575 1.15 . . . . 0.0 113.423 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -70.15 154.51 41.84 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.301 1.84 . . . . 0.0 114.506 -171.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.75 -25.47 68.21 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.557 1.543 . . . . 0.0 112.893 174.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -55.18 -45.25 75.76 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.389 1.476 . . . . 0.0 113.212 -169.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -74.1 -32.66 63.32 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.332 0.653 . . . . 0.0 112.689 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -62.18 -43.18 99.4 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.742 0.701 . . . . 0.0 110.937 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -64.86 -30.83 71.84 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 86.0 t -73.07 -47.77 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 119.039 0.836 . . . . 0.0 111.06 168.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -62.13 -43.86 97.9 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.918 0.887 . . . . 0.0 112.854 -174.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.27 -39.48 86.06 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.109 0.564 . . . . 0.0 111.685 174.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -63.16 -46.26 87.97 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.782 0.833 . . . . 0.0 111.637 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 44.3 t -58.07 -39.56 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.037 0.935 . . . . 0.0 111.783 -177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -85.44 -43.49 13.57 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.69 -31.57 70.82 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 pttm -70.16 -30.05 67.1 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -81.91 -41.04 21.46 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.241 1.016 . . . . 0.0 111.752 171.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.64 -14.77 57.88 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.106 1.363 . . . . 0.0 113.795 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 60.0 t30 60.88 51.55 4.63 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.28 1.432 . . . . 0.0 113.29 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 41.9 mm -68.66 161.4 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 156.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.5 m -74.24 111.42 12.62 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.348 1.459 . . . . 0.0 113.449 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.91 -23.72 12.08 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.108 2.538 . . . . 0.0 113.219 169.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -60.53 -32.68 71.71 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.659 0.784 . . . . 0.0 112.039 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -58.21 -40.65 82.17 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.756 1.222 . . . . 0.0 112.103 174.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mp -78.33 -45.8 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 123.748 0.819 . . . . 0.0 110.408 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -59.53 -41.24 89.56 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -68.97 -39.2 79.57 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.472 1.033 . . . . 0.0 112.375 175.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -47.07 74.24 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.405 1.082 . . . . 0.0 111.132 -178.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.65 -28.16 68.9 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.5 -1.375 . . . . 0.0 113.659 174.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.4 tp -71.4 -43.98 65.78 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.401 0.68 . . . . 0.0 112.077 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.68 -21.74 32.3 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -116.51 35.24 4.65 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.107 1.363 . . . . 0.0 114.018 -171.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -57.22 126.62 28.04 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 163.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -144.82 167.28 22.98 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.152 0.981 . . . . 0.0 113.479 -160.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m 59.99 -179.42 0.09 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.53 1.932 . . . . 0.0 115.004 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.42 162.29 35.86 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.966 1.707 . . . . 0.0 111.58 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -64.94 137.17 97.06 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 124.114 0.966 . . . . 0.0 111.945 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -68.2 167.27 22.48 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.72 2.947 . . . . 0.0 113.136 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.5 -160.01 9.9 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.315 0.959 . . . . 0.0 113.402 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -67.12 156.34 66.76 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.84 2.36 . . . . 0.0 111.761 172.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.59 154.64 38.17 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.73 -0.606 . . . . 0.0 112.05 172.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.08 176.81 10.79 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.164 1.385 . . . . 0.0 112.307 -172.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -74.08 66.39 1.22 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.837 1.655 . . . . 0.0 111.913 175.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 29.0 t -150.31 149.96 30.83 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.066 1.747 . . . . 0.0 111.85 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -75.51 -29.65 59.56 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.316 1.046 . . . . 0.0 113.049 174.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 67.2 p -103.8 -9.83 18.73 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -169.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.27 145.55 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.996 0.919 . . . . 0.0 111.881 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -69.61 150.83 96.75 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 123.448 0.699 . . . . 0.0 112.568 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.01 164.28 36.31 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.273 2.649 . . . . 0.0 111.606 165.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 . . . . . 0 C--O 1.254 1.326 0 C-N-CA 124.547 1.139 . . . . 0.0 112.911 173.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -66.05 154.0 40.71 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.681 1.192 . . . . 0.0 113.186 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -68.78 164.24 22.27 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.137 0.975 . . . . 0.0 112.53 173.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 50.4 tpp -62.6 149.08 44.25 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.071 0.948 . . . . 0.0 111.568 172.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.15 -21.3 64.93 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -75.66 -19.86 58.87 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.108 1.363 . . . . 0.0 114.144 174.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.8 tpp -84.67 144.01 28.84 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.841 1.256 . . . . 0.0 111.878 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -73.34 140.98 47.07 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.733 1.213 . . . . 0.0 111.755 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -68.0 143.88 55.39 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.019 0.928 . . . . 0.0 112.408 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.21 173.59 0.07 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.158 2.183 . . . . 0.0 115.238 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.38 135.65 54.63 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.221 1.008 . . . . 0.0 111.496 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -78.06 150.48 33.77 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.167 0.987 . . . . 0.0 112.267 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -75.3 -0.8 20.91 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.438 1.095 . . . . 0.0 113.686 174.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -75.05 55.98 0.75 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.692 1.997 . . . . 0.0 112.235 175.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -63.37 154.28 32.42 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.008 1.323 . . . . 0.0 113.187 -176.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -146.79 146.89 30.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.21 1.404 . . . . 0.0 111.396 -177.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -149.56 150.63 32.55 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.528 1.531 . . . . 0.0 111.03 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.414 ' HA ' ' HE3' ' B' ' 29' ' ' LYS . 49.5 t0 -146.22 -76.09 0.2 Allowed 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 176.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -91.87 -11.59 35.97 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -165.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.7 -49.44 77.72 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.67 1.123 . . . . 0.0 110.166 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -60.85 -38.47 85.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.195 1.398 . . . . 0.0 114.153 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.6 p -76.11 -40.58 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.174 0.897 . . . . 0.0 112.766 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -71.53 -31.69 67.32 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.949 0.795 . . . . 0.0 111.919 175.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 tt -61.89 -55.19 32.31 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.942 1.697 . . . . 0.0 111.564 170.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -32.08 73.55 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -168.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.17 -31.65 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -89.72 -31.01 17.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.186 0.903 . . . . 0.0 112.94 172.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.25 -28.24 68.57 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.233 -0.917 . . . . 0.0 113.27 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -69.66 -34.03 73.41 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 168.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -73.73 -41.37 62.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.513 0.725 . . . . 0.0 111.249 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.82 -13.93 57.01 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.7 1.2 . . . . 0.0 114.23 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.5 t30 54.5 55.04 8.49 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.878 2.471 . . . . 0.0 114.24 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.1 mm -81.2 62.98 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.676 1.19 . . . . 0.0 112.522 -175.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 m 48.19 59.74 16.39 Favored Pre-proline 0 CA--C 1.551 1.019 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 167.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -57.15 -24.31 57.97 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.786 2.991 . . . . 0.0 114.182 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -56.49 -33.87 66.39 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.543 0.737 . . . . 0.0 111.947 175.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -60.6 -45.27 94.62 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.108 0.963 . . . . 0.0 111.913 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.3 mp -71.83 -43.97 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 123.256 0.622 . . . . 0.0 109.913 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -54.74 -49.99 69.46 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.838 0.855 . . . . 0.0 112.119 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -74.44 -37.52 63.27 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.28 -38.06 86.9 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.738 -0.649 . . . . 0.0 111.582 174.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.27 -40.38 70.94 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.298 1.408 . . . . 0.0 113.143 175.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.15 -32.36 72.56 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 174.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.0 tp -81.22 -34.18 32.39 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.089 1.356 . . . . 0.0 113.523 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -66.25 109.87 2.82 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.582 1.553 . . . . 0.0 112.619 -162.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -79.13 -6.84 57.45 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -169.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -55.93 -39.66 72.0 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.369 1.068 . . . . 0.0 113.428 -175.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.3 m -90.57 117.52 29.3 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.318 1.047 . . . . 0.0 111.092 171.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.06 138.16 43.82 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.578 0.751 . . . . 0.0 111.645 173.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -77.5 136.45 64.13 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 123.66 0.784 . . . . 0.0 111.12 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -66.98 158.0 58.93 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.158 2.572 . . . . 0.0 112.718 175.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.25 171.23 37.69 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 123.958 0.789 . . . . 0.0 114.208 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -71.06 165.81 31.19 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 124.143 3.229 . . . . 0.0 112.877 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.4 145.27 31.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.286 1.434 . . . . 0.0 111.793 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.17 137.96 53.75 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.868 0.867 . . . . 0.0 112.463 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -82.38 155.66 24.6 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.043 1.337 . . . . 0.0 111.567 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -153.36 153.17 32.06 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.321 1.448 . . . . 0.0 111.623 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -152.61 150.01 29.06 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.615 1.566 . . . . 0.0 111.643 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.0 t -153.86 160.7 42.28 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.357 1.463 . . . . 0.0 111.386 173.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.14 153.9 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.87 1.268 . . . . 0.0 112.891 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -66.68 146.3 99.05 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 123.866 0.867 . . . . 0.0 111.584 175.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -63.01 -17.94 62.71 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.166 2.577 . . . . 0.0 115.539 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 C--O 1.254 1.335 0 C-N-CA 126.536 1.934 . . . . 0.0 112.144 -179.375 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p -153.8 164.23 38.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.08 1.352 . . . . 0.0 111.748 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.25 128.41 33.9 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.47 0.708 . . . . 0.0 111.981 175.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 64.1 mtm 54.03 19.2 1.96 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.349 1.459 . . . . 0.0 114.56 -175.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 51.95 32.06 9.46 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.923 1.689 . . . . 0.0 113.724 -167.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -69.06 -31.71 70.66 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -170.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 26.2 mmt -73.79 145.9 44.66 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.734 0.814 . . . . 0.0 111.982 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -60.45 -24.42 65.21 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -174.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -71.4 -31.69 67.56 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.303 1.041 . . . . 0.0 113.165 173.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.12 -32.47 16.65 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.792 1.237 . . . . 0.0 112.974 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -61.56 153.76 26.73 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.989 1.715 . . . . 0.0 112.084 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -132.04 148.41 52.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.872 1.269 . . . . 0.0 110.988 164.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -93.17 13.65 20.44 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.831 1.252 . . . . 0.0 113.822 -175.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -143.5 151.62 40.49 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.854 1.262 . . . . 0.0 112.966 -171.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -156.37 164.24 38.52 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.622 1.969 . . . . 0.0 110.337 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.62 154.47 40.74 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -172.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.15 -35.28 62.07 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.933 1.693 . . . . 0.0 111.941 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -55.68 -35.59 66.17 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.83 1.652 . . . . 0.0 113.267 174.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -91.73 -27.11 18.26 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.97 1.308 . . . . 0.0 113.175 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -54.03 -48.69 70.24 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.738 1.153 . . . . 0.0 110.776 171.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -66.1 -26.11 67.31 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -77.75 -48.18 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.204 0.911 . . . . 0.0 110.896 171.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -68.82 -35.78 77.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.846 0.858 . . . . 0.0 112.654 -174.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.02 -43.19 83.45 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.573 0.624 . . . . 0.0 110.939 169.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 19.2 tmm? -64.95 -48.52 73.79 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.192 0.906 . . . . 0.0 112.378 -171.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.1 p -61.67 -34.48 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -80.17 -43.85 20.87 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.612 0.765 . . . . 0.0 112.557 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.28 75.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.891 1.276 . . . . 0.0 113.733 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' A' ' 18' ' ' ASP . 74.0 tttt -68.33 -41.01 81.39 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.336 1.454 . . . . 0.0 112.938 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -74.08 -42.41 60.19 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.291 0.636 . . . . 0.0 112.149 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.95 -9.58 59.82 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 55.93 62.96 2.18 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.605 1.562 . . . . 0.0 113.202 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 37.5 mm -69.67 164.88 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.288 154.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.1 m -75.63 111.37 14.06 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.7 1.6 . . . . 0.0 113.1 174.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -76.43 -27.15 8.04 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.984 2.456 . . . . 0.0 112.363 167.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -59.91 -35.29 74.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.629 1.172 . . . . 0.0 113.397 -170.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -60.66 -40.66 92.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.157 0.983 . . . . 0.0 112.215 175.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 mp -77.75 -45.66 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.073 0.949 . . . . 0.0 110.717 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -56.59 -47.13 80.22 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.03 1.332 . . . . 0.0 112.336 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -68.46 -37.53 80.27 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -54.15 36.7 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.383 1.073 . . . . 0.0 110.88 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 pp -63.62 -35.87 81.94 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.092 1.315 . . . . 0.0 113.292 -178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.91 -33.24 71.92 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.305 0.642 . . . . 0.0 112.699 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.1 tp -76.41 -46.5 26.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.078 0.951 . . . . 0.0 111.763 174.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -81.81 -24.44 35.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.291 1.436 . . . . 0.0 114.24 -170.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 62.1 mttp 57.64 20.48 6.34 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.458 1.903 . . . . 0.0 115.668 170.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -71.2 -14.45 62.26 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.025 1.73 . . . . 0.0 113.172 165.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.7 p -55.06 173.13 0.1 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.398 2.279 . . . . 0.0 112.914 163.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.43 146.7 28.57 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -171.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 54.87 65.61 4.79 Favored Pre-proline 0 CA--C 1.556 1.201 0 C-N-CA 126.6 1.96 . . . . 0.0 114.182 -177.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -67.91 167.28 21.91 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 C-N-CA 123.627 2.885 . . . . 0.0 112.691 173.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.36 157.98 53.37 Favored Glycine 0 CA--C 1.545 1.948 0 C-N-CA 124.081 0.848 . . . . 0.0 114.328 176.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.0 129.27 15.02 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.762 2.975 . . . . 0.0 112.92 -175.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.95 -19.94 58.35 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.52 -1.53 27.79 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -176.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -63.93 153.76 36.0 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.321 1.449 . . . . 0.0 113.712 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.8 t 62.03 169.52 0.12 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.79 2.036 . . . . 0.0 114.92 -175.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -73.11 142.15 47.52 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.951 1.3 . . . . 0.0 112.713 -177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 38.0 p -79.7 151.22 30.59 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.838 1.255 . . . . 0.0 112.492 174.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 10.4 p -69.12 149.16 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.222 1.009 . . . . 0.0 111.598 171.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -146.88 142.21 16.88 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.172 1.389 . . . . 0.0 110.542 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.52 154.94 70.66 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 122.86 2.373 . . . . 0.0 112.08 170.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.174 1.79 . . . . 0.0 111.595 176.771 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t -153.56 154.11 33.66 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.139 1.375 . . . . 0.0 111.733 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 51.81 51.16 17.13 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.197 1.799 . . . . 0.0 113.501 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.6 tpt -62.76 126.93 28.98 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.205 -0.935 . . . . 0.0 111.065 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.59 -177.21 0.05 Allowed 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.417 1.887 . . . . 0.0 114.711 -174.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.2 p -156.26 159.71 39.13 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.891 1.677 . . . . 0.0 111.374 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 61.1 mtm -72.5 138.5 47.04 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.622 -0.673 . . . . 0.0 112.251 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -76.68 -21.13 55.8 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.937 0.895 . . . . 0.0 112.394 160.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -67.53 160.97 26.57 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.092 1.757 . . . . 0.0 112.526 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.16 165.96 6.63 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.978 0.911 . . . . 0.0 112.742 165.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -55.74 148.46 16.44 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.148 1.779 . . . . 0.0 113.44 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -58.48 154.39 14.07 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.789 1.236 . . . . 0.0 113.382 173.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -84.54 31.86 0.52 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.809 1.244 . . . . 0.0 113.305 -175.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -84.6 65.88 9.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.463 1.505 . . . . 0.0 110.133 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -58.45 139.77 54.98 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -170.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -148.85 138.45 21.9 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.39 1.876 . . . . 0.0 109.213 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tt -149.16 136.28 19.92 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -162.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -85.94 47.42 1.45 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.74 2.016 . . . . 0.0 114.34 -169.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 59.15 18.02 6.11 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -52.04 -40.85 61.73 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 120.618 -1.301 . . . . 0.0 111.332 169.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -61.1 -27.52 68.43 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.704 1.601 . . . . 0.0 114.326 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.9 t -84.71 -43.83 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.7 0.8 . . . . 0.0 110.724 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -60.2 -39.84 87.96 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.455 0.702 . . . . 0.0 112.403 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.67 -45.7 67.75 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.61 -0.709 . . . . 0.0 111.793 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -34.0 76.02 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.888 1.222 . . . . 0.0 113.021 -169.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.19 -39.33 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 123.881 0.872 . . . . 0.0 111.61 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -87.7 -34.02 18.54 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.01 70.84 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -173.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -68.85 -33.22 73.45 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 171.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -81.12 -42.88 20.25 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.528 1.131 . . . . 0.0 111.771 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.25 -0.98 43.14 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.356 1.462 . . . . 0.0 113.352 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 48.95 56.37 7.85 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 128.049 2.539 . . . . 0.0 114.452 175.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.4 mm -73.98 161.29 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 124.382 1.073 . . . . 0.0 109.57 162.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 m -74.46 113.05 20.19 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 125.247 1.419 . . . . 0.0 113.021 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.44 -24.7 18.93 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.868 2.379 . . . . 0.0 112.344 165.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -59.51 -37.57 78.65 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.683 0.793 . . . . 0.0 112.35 -171.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -55.38 -45.65 76.57 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.407 1.083 . . . . 0.0 111.907 176.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.4 ' H ' HD13 ' A' ' 38' ' ' ILE . 4.2 mp -74.68 -48.09 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 123.826 0.85 . . . . 0.0 109.89 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -57.18 -39.64 75.74 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.776 0.83 . . . . 0.0 112.786 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -79.9 -39.05 31.26 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.36 1.064 . . . . 0.0 113.354 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.05 -39.14 86.86 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.35 0.523 . . . . 0.0 111.628 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 tp -54.71 -42.68 71.81 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.64 1.576 . . . . 0.0 112.678 172.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.05 -30.58 71.13 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.839 1.255 . . . . 0.0 113.111 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.3 tp -77.89 -45.59 23.73 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.959 0.903 . . . . 0.0 112.048 169.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -66.17 -50.81 62.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.774 1.629 . . . . 0.0 113.167 -165.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt 52.83 19.85 1.43 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 171.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -68.28 166.38 16.58 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.608 1.163 . . . . 0.0 112.078 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 t -154.37 148.47 25.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.121 1.769 . . . . 0.0 109.623 167.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.43 128.53 36.16 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.484 0.714 . . . . 0.0 112.085 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -154.0 149.26 20.44 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.047 0.939 . . . . 0.0 112.692 -176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -69.41 151.44 71.04 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.881 2.388 . . . . 0.0 111.97 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.65 145.64 1.11 Allowed Glycine 0 CA--C 1.547 2.039 0 C-N-CA 125.302 1.43 . . . . 0.0 113.888 -172.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.67 127.3 10.13 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 122.794 2.33 . . . . 0.0 110.834 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.26 -25.4 42.55 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.173 -0.954 . . . . 0.0 112.276 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.96 -16.0 64.06 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.815 1.246 . . . . 0.0 114.102 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -76.51 95.56 3.9 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.087 1.355 . . . . 0.0 111.195 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.5 m -65.02 129.89 41.37 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.393 0.677 . . . . 0.0 110.66 168.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -152.29 158.2 42.44 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.433 1.093 . . . . 0.0 112.255 -174.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.4 p -71.62 152.69 42.68 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.858 1.263 . . . . 0.0 112.748 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.18 161.22 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.799 1.64 . . . . 0.0 111.497 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -65.34 145.72 99.04 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 123.603 0.761 . . . . 0.0 112.425 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -74.22 -17.2 21.88 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 123.446 2.764 . . . . 0.0 114.035 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 83.1 t80 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 126.463 1.905 . . . . 0.0 111.44 -177.103 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t 65.24 144.36 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 127.324 2.249 . . . . 0.0 115.085 -172.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 26.0 m80 59.69 166.01 0.06 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.352 2.261 . . . . 0.0 115.106 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -71.08 136.08 48.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.599 1.16 . . . . 0.0 111.849 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.4 150.46 25.19 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.182 1.393 . . . . 0.0 111.875 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -78.77 156.71 28.7 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.659 1.184 . . . . 0.0 112.315 171.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 95.9 mtp -74.87 143.78 43.68 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.918 0.887 . . . . 0.0 111.837 175.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -69.53 138.48 53.33 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.31 1.044 . . . . 0.0 111.675 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -68.81 152.72 44.93 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.812 1.245 . . . . 0.0 113.484 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.78 168.05 20.76 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.119 0.968 . . . . 0.0 111.849 163.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -147.09 173.32 12.6 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.342 1.457 . . . . 0.0 112.301 173.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -67.8 170.69 7.58 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 122.45 1.119 . . . . 0.0 113.644 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 mp0 -60.57 139.49 57.77 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.514 1.125 . . . . 0.0 111.564 172.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -152.33 18.08 0.64 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.853 1.261 . . . . 0.0 112.72 -165.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -89.18 -14.89 35.03 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.675 1.59 . . . . 0.0 113.751 -170.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 mp0 -71.24 155.74 40.36 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.468 1.907 . . . . 0.0 113.297 -173.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.01 157.81 32.53 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.572 1.149 . . . . 0.0 114.071 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -150.77 -51.34 0.13 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.471 1.508 . . . . 0.0 112.181 172.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -72.02 -14.88 62.0 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.473 1.509 . . . . 0.0 114.422 -176.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -55.06 -46.17 75.36 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.18 0.9 . . . . 0.0 110.627 173.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -60.94 -26.44 67.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.579 1.552 . . . . 0.0 114.14 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -78.27 -48.4 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 123.831 0.853 . . . . 0.0 111.651 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -67.66 -33.3 74.67 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.636 0.653 . . . . 0.0 111.763 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.82 -49.3 73.39 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 126.1 1.76 . . . . 0.0 111.116 175.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -56.38 -53.05 61.91 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.197 0.999 . . . . 0.0 112.613 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.04 -37.45 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -170.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -77.22 -43.01 35.14 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.211 0.604 . . . . 0.0 112.564 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.44 71.58 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.286 0.948 . . . . 0.0 113.323 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -65.36 -51.88 57.49 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.789 1.236 . . . . 0.0 112.327 172.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -68.23 -41.46 81.17 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.217 0.607 . . . . 0.0 112.149 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.83 -2.39 50.81 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.792 1.237 . . . . 0.0 113.848 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 49.8 t30 48.7 63.1 2.24 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.794 1.637 . . . . 0.0 113.407 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 39.9 mm -75.72 166.77 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 C-N-CA 123.874 0.87 . . . . 0.0 108.852 156.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m -76.04 110.78 12.01 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.537 1.535 . . . . 0.0 113.619 175.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.02 -21.51 15.73 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.242 2.628 . . . . 0.0 112.752 166.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.25 -36.53 73.34 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.101 0.96 . . . . 0.0 111.771 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -56.19 -42.16 76.69 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.239 1.016 . . . . 0.0 112.187 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mp -77.42 -48.48 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.55 1.14 . . . . 0.0 109.895 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -63.62 -32.83 74.42 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -78.87 -39.81 34.16 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.128 0.971 . . . . 0.0 112.796 173.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -66.81 -36.45 82.41 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.551 0.74 . . . . 0.0 111.772 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 63.4 tp -53.56 -28.14 30.13 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.301 1.84 . . . . 0.0 114.278 171.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.0 mt -69.46 -25.44 64.09 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.345 -0.847 . . . . 0.0 112.936 175.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 72.8 mt -108.45 -33.49 7.05 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.652 1.581 . . . . 0.0 113.131 -174.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -74.33 114.09 12.3 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.268 1.027 . . . . 0.0 112.062 -172.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -104.62 18.65 21.85 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.787 1.635 . . . . 0.0 113.312 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -68.52 147.51 51.89 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.963 1.705 . . . . 0.0 112.158 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 67.3 m -83.63 155.71 23.07 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.434 1.094 . . . . 0.0 111.92 171.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.78 -21.48 66.44 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 30.0 p80 -145.65 158.03 50.67 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 126.775 2.03 . . . . 0.0 109.996 174.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -68.37 166.18 26.34 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.746 2.297 . . . . 0.0 112.476 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.15 -179.69 52.61 Favored Glycine 0 CA--C 1.541 1.719 0 C-N-CA 124.962 1.268 . . . . 0.0 114.724 174.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -69.18 164.27 34.62 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 124.197 3.265 . . . . 0.0 112.963 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.35 152.81 42.91 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.226 1.01 . . . . 0.0 113.053 176.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.68 153.71 27.41 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.418 1.087 . . . . 0.0 113.279 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -79.11 49.69 0.97 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.0 1.72 . . . . 0.0 112.683 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.4 m -71.94 -19.36 61.92 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -172.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -68.66 144.72 54.37 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.084 0.954 . . . . 0.0 111.983 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 37.4 p -66.97 146.92 53.87 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.124 0.97 . . . . 0.0 112.358 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.0 13.15 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 125.74 1.616 . . . . 0.0 112.636 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -69.4 147.52 97.01 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 126.015 1.726 . . . . 0.0 112.865 -170.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -69.6 160.24 50.51 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.557 2.838 . . . . 0.0 112.892 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 83.7 t80 . . . . . 0 C--O 1.254 1.34 0 C-N-CA 125.214 1.406 . . . . 0.0 112.576 175.325 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 t -68.69 151.76 46.25 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.067 0.947 . . . . 0.0 112.942 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -75.79 -17.71 59.77 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.33 1.052 . . . . 0.0 113.247 171.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 76.2 mtm -74.37 157.71 35.22 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.285 1.034 . . . . 0.0 112.381 175.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.68 153.47 42.51 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.888 1.275 . . . . 0.0 112.348 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -62.53 -18.17 61.43 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -173.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 28.1 ptm -58.02 -23.2 53.22 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.07 1.348 . . . . 0.0 113.551 173.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -59.64 -29.83 68.3 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.09 1.356 . . . . 0.0 112.846 171.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -101.25 12.54 37.33 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.528 1.531 . . . . 0.0 113.575 -171.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.04 152.43 32.55 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.671 1.188 . . . . 0.0 113.806 -176.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -148.8 140.82 23.85 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.902 1.681 . . . . 0.0 111.807 -174.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -79.24 155.69 28.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.801 1.24 . . . . 0.0 112.695 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -65.7 -21.42 66.53 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.407 1.483 . . . . 0.0 114.089 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -78.7 78.54 5.15 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.296 -0.877 . . . . 0.0 108.92 160.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -62.14 142.65 57.49 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.743 0.817 . . . . 0.0 113.01 -171.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -80.14 40.88 0.5 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.375 1.47 . . . . 0.0 112.108 172.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.1 tp -66.37 137.78 57.13 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.879 1.672 . . . . 0.0 112.111 -174.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -126.02 -58.13 1.39 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 -173.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -128.44 6.6 5.77 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -165.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -60.54 -48.66 80.81 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.775 -1.203 . . . . 0.0 110.353 168.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -61.1 -39.3 89.44 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -176.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.08 -33.4 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.156 0.889 . . . . 0.0 112.733 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -70.53 -39.03 74.3 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.504 0.721 . . . . 0.0 111.473 171.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.42 -51.94 60.65 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.564 1.946 . . . . 0.0 112.078 176.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -35.37 80.55 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -165.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.64 -34.32 60.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 118.528 0.604 . . . . 0.0 112.624 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -81.33 -39.21 25.49 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.659 0.784 . . . . 0.0 111.802 174.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.24 -28.09 68.46 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.446 1.098 . . . . 0.0 113.127 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -59.18 -47.19 86.21 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.218 1.007 . . . . 0.0 112.046 165.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -73.22 -38.25 66.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.435 1.094 . . . . 0.0 113.09 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.12 -11.05 59.56 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.319 1.048 . . . . 0.0 113.238 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.64 42.74 16.7 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.684 2.393 . . . . 0.0 113.782 179.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.4 mm -76.27 70.19 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.322 1.049 . . . . 0.0 112.327 -176.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 m 46.63 59.8 15.49 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 161.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -56.88 -28.08 75.52 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.116 2.544 . . . . 0.0 113.224 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -58.76 -30.11 67.28 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.948 0.899 . . . . 0.0 113.012 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.41 -45.83 91.32 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.715 0.806 . . . . 0.0 111.297 174.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mp -71.62 -39.5 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 O-C-N 121.792 -0.567 . . . . 0.0 109.945 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.74 -46.68 77.75 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 174.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -76.31 -34.29 59.04 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -41.03 99.32 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.517 0.727 . . . . 0.0 110.765 172.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.0 mt -54.68 -43.09 72.16 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.329 -1.482 . . . . 0.0 113.401 171.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.12 -33.74 76.1 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.811 0.844 . . . . 0.0 112.883 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 tp -76.27 -42.98 43.78 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.598 1.159 . . . . 0.0 112.81 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -65.73 -59.22 4.13 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.574 1.549 . . . . 0.0 113.511 -161.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt 50.83 27.81 3.32 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.986 1.714 . . . . 0.0 115.309 174.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -58.74 134.93 57.26 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.097 -1.002 . . . . 0.0 111.492 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.3 m 59.98 7.55 1.19 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.818 2.047 . . . . 0.0 116.446 -176.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.56 -12.49 51.48 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 120.983 -1.073 . . . . 0.0 113.717 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -65.67 137.49 96.33 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 124.906 1.282 . . . . 0.0 112.167 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -70.87 170.38 18.03 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.868 3.045 . . . . 0.0 113.605 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.39 -177.88 31.39 Favored Glycine 0 CA--C 1.546 1.982 0 C-N-CA 124.528 1.061 . . . . 0.0 114.609 174.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -58.17 147.65 82.56 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.142 3.228 . . . . 0.0 114.694 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.21 -10.49 59.45 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -145.88 160.11 42.27 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.609 1.564 . . . . 0.0 112.246 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.44 165.27 25.06 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.087 1.355 . . . . 0.0 111.9 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.9 t -56.84 -34.21 67.54 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.521 1.128 . . . . 0.0 112.796 177.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -128.52 130.6 47.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.562 1.545 . . . . 0.0 109.824 163.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -137.61 141.16 41.25 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.288 1.435 . . . . 0.0 110.426 -176.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.23 145.53 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.427 1.091 . . . . 0.0 112.457 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.06 -42.22 0.01 OUTLIER Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 125.246 1.419 . . . . 0.0 113.404 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -63.63 157.18 52.88 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.912 2.408 . . . . 0.0 114.053 176.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 . . . . . 0 C--O 1.255 1.37 0 C-N-CA 125.336 1.455 . . . . 0.0 113.159 177.13 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -66.14 -30.03 70.44 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -174.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 60.4 m80 53.14 30.92 10.49 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.305 1.442 . . . . 0.0 113.376 -169.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 24.3 ptp -60.98 141.67 57.14 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.954 0.902 . . . . 0.0 112.923 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.86 -25.41 56.16 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 177.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -157.87 154.26 27.68 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.107 1.763 . . . . 0.0 111.058 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 60.4 ttp -68.06 -20.15 64.94 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.569 1.147 . . . . 0.0 112.971 171.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -65.92 158.71 27.34 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.657 1.183 . . . . 0.0 113.223 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -63.34 128.69 36.99 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.037 0.935 . . . . 0.0 111.113 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.78 -16.87 60.7 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -65.44 127.44 31.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.214 1.006 . . . . 0.0 111.753 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -81.7 -16.65 50.57 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -171.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.04 7.8 3.77 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -175.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -74.49 48.57 0.35 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.406 1.482 . . . . 0.0 112.37 167.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -62.55 -35.36 79.2 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -168.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -137.43 5.57 2.72 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt -136.65 79.32 1.75 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.647 1.979 . . . . 0.0 108.655 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -69.32 88.36 0.45 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.936 1.294 . . . . 0.0 112.39 -174.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 61.17 9.26 2.37 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.239 1.816 . . . . 0.0 114.937 174.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -54.55 -55.71 26.49 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.409 1.083 . . . . 0.0 110.555 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -58.56 -31.42 67.97 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.722 1.209 . . . . 0.0 114.129 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.7 t -82.57 -36.74 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 118.808 0.731 . . . . 0.0 112.268 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.72 -41.46 75.29 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.476 -0.765 . . . . 0.0 111.206 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 tt -59.68 -49.22 78.58 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.232 1.813 . . . . 0.0 112.499 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -39.31 94.0 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.052 0.842 . . . . 0.0 113.038 -170.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 13.4 p -76.48 -37.73 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.337 0.655 . . . . 0.0 112.264 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.14 -42.16 84.85 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.336 -0.852 . . . . 0.0 111.528 173.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.55 -31.97 72.43 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.356 1.062 . . . . 0.0 113.327 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -63.66 -51.37 65.44 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.879 1.272 . . . . 0.0 111.815 167.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.79 -41.7 91.65 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.93 -9.14 59.45 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.101 1.36 . . . . 0.0 114.341 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 51.05 59.4 4.64 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.16 1.784 . . . . 0.0 113.564 -174.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 45.4 mm -69.89 168.7 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 123.507 0.723 . . . . 0.0 109.64 160.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.8 m -74.8 110.84 10.9 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.886 1.674 . . . . 0.0 113.762 173.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -79.45 -22.97 7.68 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.354 2.702 . . . . 0.0 112.214 163.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -56.65 -42.33 78.74 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.841 1.656 . . . . 0.0 113.012 -173.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.05 -44.9 91.85 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.701 0.8 . . . . 0.0 111.639 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -70.9 -48.72 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 C-N-CA 123.542 0.737 . . . . 0.0 110.444 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -54.31 -47.66 72.21 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.263 0.625 . . . . 0.0 112.538 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -75.43 -37.23 60.53 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -65.73 -45.7 81.64 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 119.001 -0.524 . . . . 0.0 111.566 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.1 -40.84 74.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.381 1.072 . . . . 0.0 113.258 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.0 tp -62.54 -34.96 77.96 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.724 0.809 . . . . 0.0 112.681 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 90.2 mt -79.28 -48.34 14.3 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.105 0.962 . . . . 0.0 111.775 172.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -80.99 63.65 5.45 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.898 2.079 . . . . 0.0 111.955 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -62.32 -24.14 67.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.767 1.227 . . . . 0.0 113.316 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 21.5 tttt 60.84 -172.42 0.14 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.302 2.241 . . . . 0.0 114.44 169.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.5 m 58.3 33.03 22.76 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.876 1.67 . . . . 0.0 115.239 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.53 150.09 49.5 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.214 1.005 . . . . 0.0 112.762 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -69.53 137.07 88.35 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 123.983 0.913 . . . . 0.0 111.673 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -69.97 167.11 25.66 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.489 2.793 . . . . 0.0 112.97 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.54 175.09 53.46 Favored Glycine 0 CA--C 1.544 1.846 0 C-N-CA 123.919 0.771 . . . . 0.0 114.306 172.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -61.0 156.23 45.55 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.119 3.213 . . . . 0.0 114.122 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.31 141.82 21.7 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.932 1.293 . . . . 0.0 112.361 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.98 153.8 43.17 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.846 1.258 . . . . 0.0 112.636 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -157.53 160.58 38.34 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.206 1.402 . . . . 0.0 113.075 -172.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.9 t 53.71 -141.19 0.88 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.876 1.27 . . . . 0.0 111.791 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 33.0 p80 -68.29 -13.17 62.06 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.58 1.552 . . . . 0.0 114.355 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.6 m -77.73 119.74 21.67 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.166 -0.958 . . . . 0.0 110.869 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 11.1 p -156.5 151.37 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.709 1.604 . . . . 0.0 110.459 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -66.15 137.83 95.86 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 124.091 0.956 . . . . 0.0 111.86 175.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -74.0 -23.71 15.84 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.269 2.646 . . . . 0.0 113.633 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 . . . . . 0 C--O 1.251 1.177 0 C-N-CA 126.962 2.105 . . . . 0.0 111.504 -178.053 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.933 -0.467 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -154.21 163.7 39.71 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.21 1.404 . . . . 0.0 111.507 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -66.68 146.73 54.15 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.503 1.121 . . . . 0.0 112.826 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.0 tpt -69.72 142.1 53.37 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.218 1.007 . . . . 0.0 112.306 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.1 152.5 32.43 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.594 1.558 . . . . 0.0 111.543 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 m -66.82 141.95 57.51 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.194 0.998 . . . . 0.0 112.709 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 95.5 mtp -74.07 148.37 41.95 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.966 0.906 . . . . 0.0 112.373 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -74.04 156.62 37.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.772 1.229 . . . . 0.0 112.107 174.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -149.88 149.93 31.18 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.502 1.521 . . . . 0.0 111.457 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.41 159.35 44.53 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.212 1.405 . . . . 0.0 112.201 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -66.99 156.37 36.16 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.056 1.342 . . . . 0.0 113.144 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -83.65 -25.68 30.54 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.094 0.957 . . . . 0.0 112.662 170.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mp0 -71.36 131.21 43.07 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.348 1.059 . . . . 0.0 112.606 -175.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -86.43 18.57 3.19 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.068 1.347 . . . . 0.0 113.147 177.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -146.81 163.36 36.29 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.287 1.835 . . . . 0.0 111.691 -173.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -135.46 20.98 3.37 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.833 1.653 . . . . 0.0 111.577 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.41 143.21 57.86 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.509 1.524 . . . . 0.0 112.223 -174.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.6 p30 -146.47 -52.18 0.23 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.802 1.241 . . . . 0.0 114.064 -175.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -141.2 -8.73 1.0 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -162.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -51.83 -52.39 49.67 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.276 1.398 . . . . 0.0 110.897 176.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -56.56 -36.8 69.73 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.225 1.41 . . . . 0.0 114.637 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.9 m -82.95 -26.67 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.717 1.144 . . . . 0.0 113.727 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -74.57 -44.29 51.61 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.29 0.95 . . . . 0.0 110.804 166.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tt -57.13 -48.14 79.4 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 127.359 2.264 . . . . 0.0 112.29 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -65.05 -34.16 77.76 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.746 0.703 . . . . 0.0 112.862 -174.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.94 -43.86 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.278 1.031 . . . . 0.0 111.339 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -71.67 -42.4 67.52 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.95 -0.468 . . . . 0.0 111.909 175.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -40.1 90.47 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -176.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -67.4 -38.37 84.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.749 0.704 . . . . 0.0 111.98 177.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -74.37 -42.22 59.69 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.463 1.105 . . . . 0.0 113.156 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.47 -8.23 59.7 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.263 1.025 . . . . 0.0 113.354 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.48 60.95 2.39 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.486 2.315 . . . . 0.0 113.346 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.3 mm -71.37 163.36 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.571 -0.706 . . . . 0.0 109.679 159.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.5 m -76.86 108.86 7.35 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.819 1.648 . . . . 0.0 113.194 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.08 -25.64 15.87 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.049 2.499 . . . . 0.0 113.21 172.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -59.94 -30.3 68.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.164 0.586 . . . . 0.0 111.952 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -59.77 -43.02 94.56 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.016 0.927 . . . . 0.0 112.138 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.412 HD11 ' H ' ' A' ' 38' ' ' ILE . 4.2 mp -76.27 -45.0 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 124.202 1.001 . . . . 0.0 110.045 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -56.01 -47.14 78.33 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.22 1.008 . . . . 0.0 112.507 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -72.31 -35.89 68.77 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.629 0.772 . . . . 0.0 112.997 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -51.49 65.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.478 1.111 . . . . 0.0 109.884 173.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.38 -42.66 78.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.177 1.391 . . . . 0.0 113.565 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.7 tp -63.18 -36.94 85.31 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.861 0.864 . . . . 0.0 112.569 177.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.6 tp -78.05 -40.74 37.79 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.604 1.162 . . . . 0.0 112.881 176.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.29 73.25 8.34 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -160.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -61.9 -19.55 62.79 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.344 1.458 . . . . 0.0 114.021 169.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 tttp 64.65 -35.78 0.18 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 130.042 3.337 . . . . 0.0 117.607 169.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -69.71 147.32 50.71 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.706 1.202 . . . . 0.0 112.53 177.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.72 156.19 39.81 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.514 1.126 . . . . 0.0 112.897 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -67.04 130.17 93.88 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 123.47 0.708 . . . . 0.0 111.341 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.06 158.11 49.9 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.417 2.745 . . . . 0.0 113.318 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 177.53 164.65 31.38 Favored Glycine 0 CA--C 1.542 1.757 0 C-N-CA 124.286 0.946 . . . . 0.0 113.676 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -64.57 154.82 70.03 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.611 2.874 . . . . 0.0 114.01 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.23 59.18 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.667 0.787 . . . . 0.0 112.851 166.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.33 149.52 48.35 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.816 1.246 . . . . 0.0 112.598 175.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.94 161.96 41.24 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.225 1.81 . . . . 0.0 111.672 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.4 p -62.59 144.81 55.75 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.07 0.948 . . . . 0.0 112.509 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.7 p-80 -158.58 155.07 27.64 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.508 1.523 . . . . 0.0 111.177 -173.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.5 t -157.63 161.21 38.65 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.905 1.282 . . . . 0.0 111.783 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . 0.332 3.7 p 52.19 30.08 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 127.729 2.411 . . . . 0.0 114.736 176.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -65.92 147.94 98.54 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.705 1.202 . . . . 0.0 112.473 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.56 157.51 61.55 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.437 2.758 . . . . 0.0 112.839 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.1 t80 . . . . . 0 C--O 1.254 1.313 0 C-N-CA 125.259 1.424 . . . . 0.0 112.539 176.34 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -59.44 -26.21 65.01 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -171.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -62.99 -15.02 54.79 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.668 1.187 . . . . 0.0 114.146 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 26.5 mmt -73.92 -18.2 60.93 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.173 0.989 . . . . 0.0 113.413 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.47 -176.14 4.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.753 1.221 . . . . 0.0 112.675 173.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 13.9 t -65.77 178.5 1.03 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.392 1.477 . . . . 0.0 113.861 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 98.1 mmm -62.12 -6.67 3.17 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.537 1.935 . . . . 0.0 114.699 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -56.36 -13.2 2.04 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.18 1.792 . . . . 0.0 114.895 170.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -62.0 -34.63 76.54 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.722 1.209 . . . . 0.0 112.924 167.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.92 158.55 28.02 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.6 1.16 . . . . 0.0 112.383 175.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.05 153.36 36.34 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.055 1.342 . . . . 0.0 113.02 177.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -80.33 -19.48 46.43 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.198 0.999 . . . . 0.0 113.545 172.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -74.51 -0.21 16.85 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -169.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -58.3 -20.95 47.1 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.07 1.748 . . . . 0.0 114.484 -176.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -70.69 -21.83 62.53 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 174.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 54.77 29.51 11.94 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.953 1.701 . . . . 0.0 115.0 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.42 -47.61 83.39 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.434 1.094 . . . . 0.0 113.018 -173.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -64.19 -34.47 78.15 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.837 -0.54 . . . . 0.0 112.092 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -71.58 -36.44 70.87 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.792 0.837 . . . . 0.0 112.006 176.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -59.17 -44.11 92.15 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.124 0.874 . . . . 0.0 110.851 170.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -64.6 -27.98 69.32 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -75.58 -47.56 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.945 1.248 . . . . 0.0 111.473 167.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -60.47 -40.03 89.75 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.105 0.962 . . . . 0.0 112.277 -175.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.23 -47.78 55.26 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 118.428 -0.796 . . . . 0.0 111.47 172.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -35.98 76.47 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.179 1.354 . . . . 0.0 113.362 -166.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.72 -35.57 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 122.897 0.479 . . . . 0.0 112.219 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -82.11 -41.14 20.9 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.063 0.945 . . . . 0.0 112.605 176.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.92 -31.45 71.76 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.768 1.227 . . . . 0.0 113.679 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -63.9 -50.46 68.64 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.803 0.841 . . . . 0.0 111.459 173.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -71.48 -36.87 71.31 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.286 1.034 . . . . 0.0 113.081 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.2 -9.11 59.71 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.705 1.202 . . . . 0.0 113.206 174.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.73 53.8 10.05 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.823 2.049 . . . . 0.0 113.488 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 38.5 mm -70.84 165.8 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.549 -0.719 . . . . 0.0 109.135 162.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 38.8 m -77.48 110.16 11.75 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.592 1.157 . . . . 0.0 113.268 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.87 -22.82 14.73 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.872 2.382 . . . . 0.0 112.213 167.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -61.33 -30.23 70.38 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.421 -0.799 . . . . 0.0 112.464 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -60.07 -40.92 91.18 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.501 1.12 . . . . 0.0 112.101 174.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mp -76.92 -44.35 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 124.136 0.974 . . . . 0.0 109.935 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 52.2 ttt85 -53.94 -45.04 71.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.457 0.703 . . . . 0.0 112.774 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -73.63 -40.1 64.03 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.046 0.839 . . . . 0.0 113.091 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -42.36 98.33 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.887 0.875 . . . . 0.0 110.391 175.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 50.8 tp -54.59 -33.07 59.74 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.995 1.318 . . . . 0.0 114.353 174.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.7 mt -75.58 -34.39 60.66 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.967 0.803 . . . . 0.0 113.053 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -87.61 -26.08 23.25 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.873 1.269 . . . . 0.0 113.399 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -66.0 113.17 4.24 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.881 1.673 . . . . 0.0 112.278 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -81.35 -14.0 57.74 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -64.12 -22.6 67.0 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.849 1.425 . . . . 0.0 114.849 -167.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 78.8 p -73.76 -20.94 60.35 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.612 1.165 . . . . 0.0 114.016 174.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.18 160.72 26.83 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.469 1.107 . . . . 0.0 113.195 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -64.52 149.67 94.89 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 124.212 1.005 . . . . 0.0 112.048 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.45 -38.16 6.62 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.223 2.616 . . . . 0.0 113.334 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.27 -162.38 26.45 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 125.683 1.611 . . . . 0.0 113.1 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -68.79 110.17 2.29 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 123.031 2.487 . . . . 0.0 110.808 168.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.88 -34.17 21.05 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.879 1.272 . . . . 0.0 111.944 171.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.72 172.29 11.74 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.174 1.39 . . . . 0.0 112.33 170.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 50.7 tpt85 -64.44 -32.76 74.52 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.505 -0.747 . . . . 0.0 112.385 171.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -63.11 139.54 58.78 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.537 0.608 . . . . 0.0 111.208 174.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -73.48 -8.26 55.17 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 -175.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 66.4 p -70.26 137.72 51.02 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.304 -0.873 . . . . 0.0 111.866 173.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 97.3 t -65.98 130.55 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.143 0.977 . . . . 0.0 110.99 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -82.67 159.57 63.43 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.727 0.811 . . . . 0.0 112.995 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -57.47 153.84 39.12 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.793 2.996 . . . . 0.0 114.12 175.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.548 1.539 . . . . 0.0 111.869 -176.518 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.579 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.85 -40.79 98.54 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.877 -1.14 . . . . 0.0 110.853 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -69.0 -36.29 77.66 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.605 1.162 . . . . 0.0 113.722 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.8 p -72.76 -39.5 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.36 0.982 . . . . 0.0 111.583 171.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -66.6 -44.14 82.95 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.455 0.702 . . . . 0.0 112.597 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 pp -65.95 -39.85 90.83 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.218 0.463 . . . . 0.0 111.496 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -63.54 -43.12 98.04 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.791 0.723 . . . . 0.0 112.863 -172.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.57 -42.22 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.136 0.574 . . . . 0.0 111.563 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -79.95 -35.43 37.68 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.43 -31.8 70.76 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.545 1.138 . . . . 0.0 113.623 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -68.13 -40.98 82.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.323 1.049 . . . . 0.0 112.632 174.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -74.81 -37.3 62.38 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.258 1.023 . . . . 0.0 112.425 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.17 -14.62 58.32 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.949 1.299 . . . . 0.0 113.415 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.6 t30 54.73 53.3 10.74 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.647 1.979 . . . . 0.0 113.442 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.4 mm -65.9 155.82 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 163.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.5 m -72.78 113.17 18.92 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 125.176 1.39 . . . . 0.0 112.845 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -72.44 -26.97 16.44 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.959 2.439 . . . . 0.0 112.833 169.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -59.92 -37.65 80.08 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.626 -0.671 . . . . 0.0 112.148 -173.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -56.73 -41.99 78.44 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.311 1.044 . . . . 0.0 112.24 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.447 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.1 mp -74.89 -49.86 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 C-N-CA 123.325 0.65 . . . . 0.0 109.934 175.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -62.45 -35.56 79.68 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.198 0.908 . . . . 0.0 113.149 -174.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -73.47 -36.52 65.85 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.379 0.991 . . . . 0.0 113.368 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -52.34 62.64 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.469 1.108 . . . . 0.0 109.586 171.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.6 tp -55.69 -40.01 71.79 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.926 2.09 . . . . 0.0 114.284 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.1 tp . . . . . 0 CA--C 1.541 0.614 0 C-N-CA 124.137 0.975 . . . . 0.0 112.358 179.033 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 . . . . . 0 N--CA 1.469 0.495 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -70.35 -52.22 24.24 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.149 0.886 . . . . 0.0 110.099 162.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -64.75 -33.78 76.79 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.017 1.327 . . . . 0.0 114.321 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 t -71.79 -45.43 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.825 1.25 . . . . 0.0 112.103 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -64.44 -45.48 87.33 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.802 0.728 . . . . 0.0 111.234 172.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 tt -56.99 -48.0 79.46 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.813 1.645 . . . . 0.0 111.455 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -46.77 87.57 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.102 0.961 . . . . 0.0 112.376 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 70.1 t -69.25 -46.13 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.479 0.711 . . . . 0.0 111.531 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -74.27 -39.06 63.24 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.434 -0.791 . . . . 0.0 113.077 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.37 -31.27 71.39 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.199 1.0 . . . . 0.0 113.296 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -60.01 -47.2 86.83 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.523 1.129 . . . . 0.0 112.007 169.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -74.72 -32.85 62.25 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.57 -16.27 56.21 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 23.2 m120 54.88 51.86 12.95 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.274 1.83 . . . . 0.0 113.432 -171.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 11.9 mm -68.3 166.72 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 162.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m -77.55 109.87 10.92 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 124.587 1.155 . . . . 0.0 113.613 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -75.21 -21.58 15.32 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.011 2.474 . . . . 0.0 112.783 167.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -60.43 -32.41 71.33 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.155 0.982 . . . . 0.0 112.205 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -59.87 -44.37 94.19 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.049 0.94 . . . . 0.0 112.025 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.46 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.4 mp -72.93 -46.27 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 123.962 0.905 . . . . 0.0 109.765 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -63.01 -44.34 96.25 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -68.1 -36.86 80.46 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.418 1.008 . . . . 0.0 112.471 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.96 -49.5 65.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.313 0.645 . . . . 0.0 111.055 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 tp . . . . . 0 CA--C 1.542 0.667 0 C-N-CA 126.263 1.825 . . . . 0.0 114.0 175.208 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 118.858 2.91 . . . . 0.0 118.858 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -54.84 -40.6 69.78 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 121.138 1.79 . . . . 0.0 111.443 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -62.69 -25.65 68.26 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.448 1.499 . . . . 0.0 114.654 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -81.0 -44.99 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.19 0.905 . . . . 0.0 110.655 171.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.15 -39.56 93.17 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.152 0.981 . . . . 0.0 113.095 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 pp -70.12 -39.48 75.44 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.631 -0.668 . . . . 0.0 111.521 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -64.85 -44.94 88.14 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 118.965 0.802 . . . . 0.0 112.575 -171.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.3 -34.7 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -80.75 -35.13 33.73 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.504 -0.747 . . . . 0.0 112.84 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.9 73.11 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.019 -1.051 . . . . 0.0 113.455 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.03 -46.09 86.02 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.124 0.97 . . . . 0.0 112.355 170.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -70.28 -38.69 75.1 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.266 1.026 . . . . 0.0 112.2 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.43 -15.39 55.26 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.438 1.495 . . . . 0.0 114.209 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 54.96 50.98 14.33 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.101 1.76 . . . . 0.0 112.724 -173.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.1 mm -67.36 161.64 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 O-C-N 121.834 -0.542 . . . . 0.0 109.644 165.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.3 m -79.63 111.55 22.02 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.002 1.321 . . . . 0.0 113.438 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -72.76 -25.11 17.42 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 123.619 2.879 . . . . 0.0 112.99 168.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -60.8 -32.66 72.01 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.616 -0.678 . . . . 0.0 112.511 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -60.23 -41.96 94.24 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.544 1.138 . . . . 0.0 112.273 175.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.419 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.3 mp -74.64 -46.08 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.432 0.693 . . . . 0.0 109.961 177.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -59.7 -44.25 93.75 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.895 0.771 . . . . 0.0 112.944 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -67.08 -35.21 79.32 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 119.856 1.207 . . . . 0.0 113.091 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.01 -52.29 56.9 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.09 0.956 . . . . 0.0 110.058 172.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.48 -37.29 67.63 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.785 1.634 . . . . 0.0 114.181 176.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.7 mt . . . . . 0 CA--C 1.545 0.769 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 177.122 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 117.131 2.271 . . . . 0.0 117.131 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.88 -54.47 28.89 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.802 1.637 . . . . 0.0 111.695 -174.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -60.32 -28.02 67.8 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.0 t -84.74 -42.95 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.669 0.787 . . . . 0.0 111.939 -175.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -66.48 -34.49 78.04 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.923 -0.486 . . . . 0.0 111.153 171.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.08 -54.44 30.0 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.398 1.879 . . . . 0.0 112.449 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -35.85 82.07 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -168.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.62 -38.44 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -78.46 -39.03 39.66 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.376 -0.827 . . . . 0.0 112.578 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.31 -31.25 71.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.118 0.967 . . . . 0.0 112.944 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -62.61 -52.0 65.11 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.616 1.166 . . . . 0.0 112.42 171.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -75.08 -31.69 61.29 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -176.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.06 -15.97 59.41 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.008 0.923 . . . . 0.0 112.927 170.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 54.09 54.18 10.02 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.518 2.327 . . . . 0.0 113.138 -176.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.06 165.65 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 159.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 49.8 m -78.01 109.04 8.73 Favored Pre-proline 0 CA--C 1.547 0.865 0 O-C-N 120.797 -1.189 . . . . 0.0 113.569 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -74.52 -21.48 16.98 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.949 2.433 . . . . 0.0 112.746 167.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -58.28 -34.93 71.06 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.533 0.733 . . . . 0.0 111.216 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -57.87 -42.36 84.38 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.236 1.015 . . . . 0.0 112.219 176.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.459 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.3 mp -75.16 -45.21 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 123.715 0.806 . . . . 0.0 109.887 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -58.15 -42.63 86.33 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -75.11 -33.79 61.64 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.777 0.831 . . . . 0.0 113.084 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -47.48 79.88 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.287 0.635 . . . . 0.0 110.36 170.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.9 mt . . . . . 0 N--CA 1.475 0.813 0 CA-C-N 119.666 1.121 . . . . 0.0 112.758 171.519 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -58.73 -42.2 88.22 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.289 1.404 . . . . 0.0 111.247 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -63.29 -28.33 69.95 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.427 1.491 . . . . 0.0 113.96 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.67 -46.29 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 118.892 0.769 . . . . 0.0 110.77 171.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -66.39 -32.52 73.96 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 pp -72.45 -45.54 59.11 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.017 0.826 . . . . 0.0 111.452 169.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -62.62 -42.58 99.67 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.975 0.91 . . . . 0.0 112.888 -171.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.2 p -62.16 -33.04 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.604 0.762 . . . . 0.0 112.932 -176.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -104.45 -29.51 10.65 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.94 -32.51 69.65 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.696 1.134 . . . . 0.0 113.46 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -66.16 -34.96 79.23 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 172.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -83.73 -34.92 24.76 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.132 1.373 . . . . 0.0 112.809 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.87 -15.09 58.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.991 1.317 . . . . 0.0 112.752 172.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m120 59.46 50.66 7.3 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 127.599 2.36 . . . . 0.0 113.231 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.4 mm -64.24 160.88 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.31 0.644 . . . . 0.0 109.676 164.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.8 m -76.27 112.38 20.73 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.897 1.279 . . . . 0.0 112.992 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -74.61 -22.47 15.71 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.238 2.625 . . . . 0.0 113.456 170.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.48 -38.2 83.5 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.394 0.677 . . . . 0.0 112.515 -169.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -56.53 -43.55 79.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.287 1.035 . . . . 0.0 111.993 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.512 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.0 mp -72.43 -51.84 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 C-N-CA 123.943 0.897 . . . . 0.0 109.453 176.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -56.81 -33.08 66.37 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.288 1.035 . . . . 0.0 112.919 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -86.23 -43.34 13.05 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.354 1.462 . . . . 0.0 114.038 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.78 -37.18 85.66 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.516 1.053 . . . . 0.0 111.697 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.4 tp -55.41 -24.94 32.91 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.876 2.07 . . . . 0.0 114.994 170.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt . . . . . 0 N--CA 1.474 0.775 0 CA-C-N 119.3 0.955 . . . . 0.0 112.451 173.599 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 116.808 2.151 . . . . 0.0 116.808 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.98 -42.59 63.05 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.533 1.515 . . . . 0.0 111.66 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -61.38 -29.48 69.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.165 1.386 . . . . 0.0 114.388 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -79.74 -44.22 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 119.106 0.866 . . . . 0.0 110.859 173.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.79 -42.55 97.7 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.372 0.669 . . . . 0.0 112.459 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.56 -38.96 77.65 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.599 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -51.02 68.91 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.771 1.169 . . . . 0.0 113.36 -169.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.42 -37.01 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 122.101 -0.374 . . . . 0.0 111.79 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -74.74 -38.85 62.15 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.032 0.933 . . . . 0.0 112.455 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.53 -34.26 76.74 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.609 1.164 . . . . 0.0 113.037 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -63.47 -44.97 92.9 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.316 1.046 . . . . 0.0 111.631 169.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -68.51 -40.27 80.91 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.789 0.836 . . . . 0.0 112.867 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.72 -12.74 55.41 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.197 1.399 . . . . 0.0 114.327 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 m120 56.25 57.22 5.14 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.537 1.935 . . . . 0.0 113.717 -173.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 37.3 mm -65.23 164.19 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 121.586 -0.696 . . . . 0.0 109.45 158.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 74.9 m -77.33 110.33 12.09 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.936 1.294 . . . . 0.0 113.053 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.8 -21.26 18.99 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.482 2.788 . . . . 0.0 112.963 169.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -56.45 -37.19 69.95 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.012 0.925 . . . . 0.0 111.669 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -59.16 -40.49 85.74 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.172 0.989 . . . . 0.0 112.532 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.437 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.3 mp -76.39 -45.21 34.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 123.924 0.89 . . . . 0.0 110.099 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -60.85 -44.15 97.39 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.724 0.81 . . . . 0.0 112.618 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -71.04 -35.0 71.81 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.113 0.869 . . . . 0.0 113.03 178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -53.27 56.83 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.223 1.009 . . . . 0.0 109.634 170.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 65.4 tp . . . . . 0 CA--C 1.544 0.717 0 C-N-CA 126.06 1.744 . . . . 0.0 114.721 175.295 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 118.707 2.855 . . . . 0.0 118.707 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -51.84 -49.18 63.36 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 120.963 1.71 . . . . 0.0 111.398 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -56.64 -31.97 64.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.663 1.585 . . . . 0.0 114.587 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.9 t -81.47 -43.13 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.094 0.558 . . . . 0.0 111.578 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -64.65 -40.81 96.08 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.218 0.532 . . . . 0.0 111.033 171.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tt -58.31 -51.67 68.8 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.249 1.819 . . . . 0.0 111.715 175.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -62.28 -33.97 75.66 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.617 1.099 . . . . 0.0 113.132 -172.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.8 t -72.37 -48.8 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.622 0.769 . . . . 0.0 111.362 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -73.32 -37.5 66.14 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.646 -0.659 . . . . 0.0 112.363 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.34 -31.1 69.32 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.192 0.997 . . . . 0.0 113.351 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.4 -40.61 93.63 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.937 1.295 . . . . 0.0 112.473 169.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -69.89 -42.15 73.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.259 0.623 . . . . 0.0 112.296 173.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.9 -16.68 49.8 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 115.416 1.635 . . . . 0.0 115.416 -176.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 57.34 71.24 0.59 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.393 1.877 . . . . 0.0 113.187 -172.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.8 mm -105.25 69.75 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.123 1.369 . . . . 0.0 111.648 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 m 45.46 62.37 10.87 Favored Pre-proline 0 CA--C 1.554 1.097 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 162.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -58.08 -22.87 58.02 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 123.692 2.928 . . . . 0.0 114.042 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -56.83 -35.03 68.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.375 1.07 . . . . 0.0 113.03 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -58.38 -38.67 77.77 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.301 0.955 . . . . 0.0 112.13 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.414 HD12 ' H ' ' A' ' 38' ' ' ILE . 3.9 mp -82.38 -48.39 18.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 125.241 1.416 . . . . 0.0 109.898 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -59.67 -36.57 76.7 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.076 0.95 . . . . 0.0 112.845 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -76.24 -42.05 47.09 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.36 1.064 . . . . 0.0 112.733 174.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.07 -35.94 80.93 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.506 0.594 . . . . 0.0 111.135 -176.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.8 mt -54.65 -25.36 26.33 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 170.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.5 mt . . . . . 0 N--CA 1.474 0.735 0 CA-C-N 119.54 1.064 . . . . 0.0 112.662 175.272 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -61.04 -44.34 97.54 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.363 0.983 . . . . 0.0 110.241 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -62.9 -38.74 92.17 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.774 1.229 . . . . 0.0 114.315 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 8.6 m -76.48 -31.8 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.329 0.968 . . . . 0.0 112.067 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -72.89 -44.78 60.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.771 0.829 . . . . 0.0 112.265 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 pp -66.64 -37.03 83.97 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.685 177.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -58.73 -51.65 69.05 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.464 1.029 . . . . 0.0 112.782 -171.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.43 -44.65 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 123.482 0.713 . . . . 0.0 111.189 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -67.16 -40.63 86.68 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.31 0.644 . . . . 0.0 112.116 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.95 -33.92 75.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.467 1.107 . . . . 0.0 113.615 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -69.85 -41.16 75.26 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.91 1.284 . . . . 0.0 112.254 172.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -70.03 -45.69 66.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.755 0.822 . . . . 0.0 112.447 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.85 -0.76 57.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.07 1.348 . . . . 0.0 114.507 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 60.7 t30 54.72 56.82 6.29 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.836 1.655 . . . . 0.0 113.998 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 45.0 mm -65.93 167.87 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 158.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -67.83 118.85 61.89 Favored Pre-proline 0 N--CA 1.475 0.786 0 O-C-N 120.487 -1.383 . . . . 0.0 112.426 170.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -84.25 -28.58 1.12 Allowed 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.564 2.176 . . . . 0.0 111.838 160.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.74 -34.33 76.97 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.218 -0.926 . . . . 0.0 112.043 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -56.68 -38.18 71.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.372 0.669 . . . . 0.0 112.558 174.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -79.52 -51.16 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.559 1.143 . . . . 0.0 110.845 174.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -61.0 -36.5 79.64 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.998 0.817 . . . . 0.0 113.159 -175.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.7 pttm -71.8 -37.8 70.35 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.341 0.973 . . . . 0.0 112.832 175.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -67.4 -45.73 75.3 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.612 1.565 . . . . 0.0 110.238 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.3 tp . . . . . 0 CA--C 1.538 0.506 0 C-N-CA 126.237 1.815 . . . . 0.0 113.318 173.378 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -52.74 -53.52 46.74 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.07 1.305 . . . . 0.0 110.818 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -59.78 -32.24 70.42 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.531 1.532 . . . . 0.0 115.078 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -76.73 -47.28 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.153 0.888 . . . . 0.0 111.485 -174.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -66.3 -42.95 87.59 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.935 -0.478 . . . . 0.0 111.043 173.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tt -53.82 -49.24 68.81 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.5 1.52 . . . . 0.0 111.583 174.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -58.98 -48.08 82.82 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.821 0.849 . . . . 0.0 112.26 -177.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.89 -49.24 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 123.61 0.764 . . . . 0.0 111.219 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -65.7 -38.24 88.67 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.631 -0.668 . . . . 0.0 112.514 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.9 -33.57 72.36 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -63.24 -48.75 76.91 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.766 0.826 . . . . 0.0 111.173 168.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -65.74 -36.01 82.37 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.62 -18.18 45.6 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 177.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 50.13 62.61 2.58 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.693 1.597 . . . . 0.0 111.813 -164.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.9 mm -67.61 171.61 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 155.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.7 m -82.59 106.24 6.35 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 125.752 1.621 . . . . 0.0 113.693 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.72 -30.24 9.75 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.346 2.698 . . . . 0.0 114.284 174.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -63.66 -28.39 69.87 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.679 -0.638 . . . . 0.0 112.235 -173.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.46 -40.59 91.77 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.71 1.204 . . . . 0.0 112.46 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mp -74.84 -46.43 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 123.32 0.648 . . . . 0.0 110.116 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 ttp85 -55.43 -49.65 71.86 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 118.689 0.677 . . . . 0.0 112.597 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -65.82 -38.06 87.92 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.34 0.973 . . . . 0.0 112.753 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.43 -49.29 67.23 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.05 0.94 . . . . 0.0 110.437 176.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.2 -48.68 73.49 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.756 1.222 . . . . 0.0 112.715 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 -179.202 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -53.47 -44.03 68.62 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.204 1.365 . . . . 0.0 111.42 174.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -63.58 -29.62 70.85 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.622 1.169 . . . . 0.0 113.97 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.2 t -77.54 -45.62 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.921 0.782 . . . . 0.0 110.778 171.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -63.71 -38.33 90.72 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.382 1.473 . . . . 0.0 112.887 -176.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 pp -69.86 -47.69 61.68 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.913 -0.492 . . . . 0.0 110.842 170.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -66.85 -41.15 87.85 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.031 0.832 . . . . 0.0 113.035 -168.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.52 -33.73 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -91.06 -41.31 11.14 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.987 0.915 . . . . 0.0 113.094 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -28.92 70.4 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.554 1.142 . . . . 0.0 113.718 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -65.61 -33.53 76.12 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.056 1.342 . . . . 0.0 113.078 171.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -80.7 -39.24 27.49 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.44 0.696 . . . . 0.0 112.097 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.51 -14.3 57.1 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 58.33 51.72 8.04 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.437 1.895 . . . . 0.0 114.021 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 37.7 mm -76.27 67.3 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.621 1.168 . . . . 0.0 111.787 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 25.1 m 47.61 59.91 15.96 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -61.14 -22.94 76.21 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.069 2.513 . . . . 0.0 113.356 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -56.58 -34.3 67.02 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.515 -0.74 . . . . 0.0 111.998 173.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.59 -43.83 96.94 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.232 0.924 . . . . 0.0 111.871 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.409 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.4 mp -73.72 -43.08 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 123.302 0.641 . . . . 0.0 110.185 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 50.8 ttp85 -61.59 -44.79 96.36 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -68.61 -33.75 74.57 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.976 1.262 . . . . 0.0 112.531 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -49.65 75.2 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.497 0.719 . . . . 0.0 110.594 169.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 50.1 mt . . . . . 0 N--CA 1.479 0.993 0 CA-C-N 120.259 1.391 . . . . 0.0 113.177 172.501 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 . . . . . 0 N--CA 1.469 0.511 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.59 -42.3 98.29 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.609 1.095 . . . . 0.0 110.645 171.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -69.05 -37.84 78.78 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.925 1.29 . . . . 0.0 113.722 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.1 m -73.89 -33.21 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-N 119.809 1.186 . . . . 0.0 112.579 172.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -67.57 -48.6 66.43 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.677 0.671 . . . . 0.0 111.583 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.16 -36.21 82.5 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 118.021 -0.99 . . . . 0.0 111.999 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -33.79 76.82 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.482 1.492 . . . . 0.0 113.435 -171.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.1 t -74.67 -47.75 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.884 0.873 . . . . 0.0 110.715 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -67.53 -36.45 81.04 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.523 -0.736 . . . . 0.0 112.369 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.97 -31.55 68.14 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.416 1.087 . . . . 0.0 113.61 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -63.0 -48.93 76.69 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.314 1.046 . . . . 0.0 111.071 169.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -71.95 -35.9 69.72 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.62 -4.41 56.05 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.509 1.123 . . . . 0.0 113.418 172.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 47.68 56.19 7.44 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 127.118 2.167 . . . . 0.0 113.414 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.7 mm -72.2 173.39 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.943 1.297 . . . . 0.0 110.096 170.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.0 m -78.47 107.34 5.56 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 124.998 1.319 . . . . 0.0 113.225 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.09 -25.8 22.15 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.658 2.239 . . . . 0.0 112.654 166.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -58.09 -33.28 68.91 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.759 0.824 . . . . 0.0 112.104 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -57.07 -39.06 74.22 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.591 1.157 . . . . 0.0 112.428 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.449 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.0 mp -81.52 -45.38 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 125.098 1.359 . . . . 0.0 109.974 176.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -58.52 -39.87 81.32 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.635 1.174 . . . . 0.0 113.358 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -74.66 -38.12 62.52 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.466 1.106 . . . . 0.0 112.679 174.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -67.49 -36.33 80.89 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.952 1.301 . . . . 0.0 110.702 -177.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.7 mt -54.64 -25.65 28.07 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 170.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.3 mt . . . . . 0 CA--C 1.544 0.741 0 CA-C-N 119.42 1.009 . . . . 0.0 112.676 174.865 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 . . . . . 0 CA--C 1.536 0.439 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -62.18 -43.18 99.4 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.742 0.701 . . . . 0.0 110.937 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -64.86 -30.83 71.84 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 86.0 t -73.07 -47.77 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 119.039 0.836 . . . . 0.0 111.06 168.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -62.13 -43.86 97.9 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.918 0.887 . . . . 0.0 112.854 -174.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.27 -39.48 86.06 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.109 0.564 . . . . 0.0 111.685 174.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -63.16 -46.26 87.97 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.782 0.833 . . . . 0.0 111.637 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 44.3 t -58.07 -39.56 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.037 0.935 . . . . 0.0 111.783 -177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -85.44 -43.49 13.57 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.69 -31.57 70.82 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 pttm -70.16 -30.05 67.1 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -81.91 -41.04 21.46 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.241 1.016 . . . . 0.0 111.752 171.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.64 -14.77 57.88 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.106 1.363 . . . . 0.0 113.795 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 60.0 t30 60.88 51.55 4.63 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.28 1.432 . . . . 0.0 113.29 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 41.9 mm -68.66 161.4 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 156.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.5 m -74.24 111.42 12.62 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.348 1.459 . . . . 0.0 113.449 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.91 -23.72 12.08 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.108 2.538 . . . . 0.0 113.219 169.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -60.53 -32.68 71.71 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.659 0.784 . . . . 0.0 112.039 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -58.21 -40.65 82.17 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.756 1.222 . . . . 0.0 112.103 174.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mp -78.33 -45.8 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 123.748 0.819 . . . . 0.0 110.408 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -59.53 -41.24 89.56 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -68.97 -39.2 79.57 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.472 1.033 . . . . 0.0 112.375 175.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -47.07 74.24 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.405 1.082 . . . . 0.0 111.132 -178.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 N--CA 1.475 0.795 0 O-C-N 120.5 -1.375 . . . . 0.0 113.659 174.815 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.7 -49.44 77.72 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.67 1.123 . . . . 0.0 110.166 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -60.85 -38.47 85.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.195 1.398 . . . . 0.0 114.153 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.6 p -76.11 -40.58 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.174 0.897 . . . . 0.0 112.766 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -71.53 -31.69 67.32 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.949 0.795 . . . . 0.0 111.919 175.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 tt -61.89 -55.19 32.31 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.942 1.697 . . . . 0.0 111.564 170.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -32.08 73.55 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -168.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.17 -31.65 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -89.72 -31.01 17.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.186 0.903 . . . . 0.0 112.94 172.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.25 -28.24 68.57 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.233 -0.917 . . . . 0.0 113.27 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -69.66 -34.03 73.41 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 168.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -73.73 -41.37 62.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.513 0.725 . . . . 0.0 111.249 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.82 -13.93 57.01 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.7 1.2 . . . . 0.0 114.23 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.5 t30 54.5 55.04 8.49 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.878 2.471 . . . . 0.0 114.24 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.1 mm -81.2 62.98 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.676 1.19 . . . . 0.0 112.522 -175.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 m 48.19 59.74 16.39 Favored Pre-proline 0 CA--C 1.551 1.019 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 167.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -57.15 -24.31 57.97 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.786 2.991 . . . . 0.0 114.182 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -56.49 -33.87 66.39 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.543 0.737 . . . . 0.0 111.947 175.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -60.6 -45.27 94.62 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.108 0.963 . . . . 0.0 111.913 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.422 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.3 mp -71.83 -43.97 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 123.256 0.622 . . . . 0.0 109.913 178.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -54.74 -49.99 69.46 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.838 0.855 . . . . 0.0 112.119 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -74.44 -37.52 63.27 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.28 -38.06 86.9 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.738 -0.649 . . . . 0.0 111.582 174.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.27 -40.38 70.94 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.298 1.408 . . . . 0.0 113.143 175.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 CA--C 1.547 0.829 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 174.779 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -54.03 -48.69 70.24 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.738 1.153 . . . . 0.0 110.776 171.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -66.1 -26.11 67.31 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -77.75 -48.18 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.204 0.911 . . . . 0.0 110.896 171.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -68.82 -35.78 77.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.846 0.858 . . . . 0.0 112.654 -174.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.02 -43.19 83.45 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.573 0.624 . . . . 0.0 110.939 169.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 19.2 tmm? -64.95 -48.52 73.79 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.192 0.906 . . . . 0.0 112.378 -171.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.1 p -61.67 -34.48 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -80.17 -43.85 20.87 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.612 0.765 . . . . 0.0 112.557 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.28 75.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.891 1.276 . . . . 0.0 113.733 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -68.33 -41.01 81.39 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.336 1.454 . . . . 0.0 112.938 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -74.08 -42.41 60.19 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.291 0.636 . . . . 0.0 112.149 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.95 -9.58 59.82 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 55.93 62.96 2.18 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.605 1.562 . . . . 0.0 113.202 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 37.5 mm -69.67 164.88 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.288 154.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.1 m -75.63 111.37 14.06 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.7 1.6 . . . . 0.0 113.1 174.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -76.43 -27.15 8.04 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.984 2.456 . . . . 0.0 112.363 167.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -59.91 -35.29 74.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.629 1.172 . . . . 0.0 113.397 -170.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -60.66 -40.66 92.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.157 0.983 . . . . 0.0 112.215 175.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 mp -77.75 -45.66 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.073 0.949 . . . . 0.0 110.717 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -56.59 -47.13 80.22 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.03 1.332 . . . . 0.0 112.336 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -68.46 -37.53 80.27 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -54.15 36.7 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.383 1.073 . . . . 0.0 110.88 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.476 0.829 0 CA-C-N 120.092 1.315 . . . . 0.0 113.292 -178.825 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -52.04 -40.85 61.73 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 120.618 -1.301 . . . . 0.0 111.332 169.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -61.1 -27.52 68.43 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.704 1.601 . . . . 0.0 114.326 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.9 t -84.71 -43.83 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.7 0.8 . . . . 0.0 110.724 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -60.2 -39.84 87.96 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.455 0.702 . . . . 0.0 112.403 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.67 -45.7 67.75 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.61 -0.709 . . . . 0.0 111.793 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -34.0 76.02 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.888 1.222 . . . . 0.0 113.021 -169.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.19 -39.33 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 123.881 0.872 . . . . 0.0 111.61 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -87.7 -34.02 18.54 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.01 70.84 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -173.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -68.85 -33.22 73.45 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 171.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -81.12 -42.88 20.25 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.528 1.131 . . . . 0.0 111.771 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.25 -0.98 43.14 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.356 1.462 . . . . 0.0 113.352 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 48.95 56.37 7.85 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 128.049 2.539 . . . . 0.0 114.452 175.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.4 mm -73.98 161.29 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 124.382 1.073 . . . . 0.0 109.57 162.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 m -74.46 113.05 20.19 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 125.247 1.419 . . . . 0.0 113.021 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.44 -24.7 18.93 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.868 2.379 . . . . 0.0 112.344 165.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -59.51 -37.57 78.65 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.683 0.793 . . . . 0.0 112.35 -171.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -55.38 -45.65 76.57 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.407 1.083 . . . . 0.0 111.907 176.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.461 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.2 mp -74.68 -48.09 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 123.826 0.85 . . . . 0.0 109.89 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -57.18 -39.64 75.74 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.776 0.83 . . . . 0.0 112.786 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -79.9 -39.05 31.26 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.36 1.064 . . . . 0.0 113.354 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.05 -39.14 86.86 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.35 0.523 . . . . 0.0 111.628 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 tp -54.71 -42.68 71.81 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.64 1.576 . . . . 0.0 112.678 172.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 tt . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 124.839 1.255 . . . . 0.0 113.111 179.12 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 . . . . . 0 CA--C 1.539 0.544 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -55.06 -46.17 75.36 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.18 0.9 . . . . 0.0 110.627 173.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -60.94 -26.44 67.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.579 1.552 . . . . 0.0 114.14 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -78.27 -48.4 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 123.831 0.853 . . . . 0.0 111.651 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -67.66 -33.3 74.67 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.636 0.653 . . . . 0.0 111.763 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.82 -49.3 73.39 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 126.1 1.76 . . . . 0.0 111.116 175.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -56.38 -53.05 61.91 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.197 0.999 . . . . 0.0 112.613 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.04 -37.45 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -170.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -77.22 -43.01 35.14 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.211 0.604 . . . . 0.0 112.564 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.44 71.58 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.286 0.948 . . . . 0.0 113.323 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -65.36 -51.88 57.49 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.789 1.236 . . . . 0.0 112.327 172.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -68.23 -41.46 81.17 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.217 0.607 . . . . 0.0 112.149 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.83 -2.39 50.81 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.792 1.237 . . . . 0.0 113.848 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 49.8 t30 48.7 63.1 2.24 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.794 1.637 . . . . 0.0 113.407 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 39.9 mm -75.72 166.77 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 C-N-CA 123.874 0.87 . . . . 0.0 108.852 156.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m -76.04 110.78 12.01 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.537 1.535 . . . . 0.0 113.619 175.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.02 -21.51 15.73 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.242 2.628 . . . . 0.0 112.752 166.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.25 -36.53 73.34 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.101 0.96 . . . . 0.0 111.771 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -56.19 -42.16 76.69 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.239 1.016 . . . . 0.0 112.187 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.426 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.2 mp -77.42 -48.48 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.55 1.14 . . . . 0.0 109.895 178.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -63.62 -32.83 74.42 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -78.87 -39.81 34.16 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.128 0.971 . . . . 0.0 112.796 173.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -66.81 -36.45 82.41 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.551 0.74 . . . . 0.0 111.772 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 63.4 tp . . . . . 0 CA--C 1.546 0.818 0 C-N-CA 126.301 1.84 . . . . 0.0 114.278 171.34 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -60.54 -48.66 80.81 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.775 -1.203 . . . . 0.0 110.353 168.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -61.1 -39.3 89.44 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -176.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.08 -33.4 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.156 0.889 . . . . 0.0 112.733 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -70.53 -39.03 74.3 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.504 0.721 . . . . 0.0 111.473 171.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.42 -51.94 60.65 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.564 1.946 . . . . 0.0 112.078 176.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -35.37 80.55 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -165.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.64 -34.32 60.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 118.528 0.604 . . . . 0.0 112.624 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -81.33 -39.21 25.49 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.659 0.784 . . . . 0.0 111.802 174.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.24 -28.09 68.46 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.446 1.098 . . . . 0.0 113.127 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -59.18 -47.19 86.21 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.218 1.007 . . . . 0.0 112.046 165.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -73.22 -38.25 66.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.435 1.094 . . . . 0.0 113.09 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.12 -11.05 59.56 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.319 1.048 . . . . 0.0 113.238 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.64 42.74 16.7 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.684 2.393 . . . . 0.0 113.782 179.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.4 mm -76.27 70.19 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.322 1.049 . . . . 0.0 112.327 -176.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 m 46.63 59.8 15.49 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 161.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -56.88 -28.08 75.52 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.116 2.544 . . . . 0.0 113.224 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -58.76 -30.11 67.28 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.948 0.899 . . . . 0.0 113.012 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.41 -45.83 91.32 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.715 0.806 . . . . 0.0 111.297 174.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.421 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.2 mp -71.62 -39.5 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 O-C-N 121.792 -0.567 . . . . 0.0 109.945 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.74 -46.68 77.75 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 174.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -76.31 -34.29 59.04 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -41.03 99.32 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.517 0.727 . . . . 0.0 110.765 172.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.0 mt -54.68 -43.09 72.16 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.329 -1.482 . . . . 0.0 113.401 171.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.1 tp . . . . . 0 CA--C 1.545 0.786 0 C-N-CA 123.811 0.844 . . . . 0.0 112.883 177.685 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 CA--C 1.549 0.925 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -54.55 -55.71 26.49 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.409 1.083 . . . . 0.0 110.555 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -58.56 -31.42 67.97 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.722 1.209 . . . . 0.0 114.129 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.7 t -82.57 -36.74 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 118.808 0.731 . . . . 0.0 112.268 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.72 -41.46 75.29 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.476 -0.765 . . . . 0.0 111.206 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 tt -59.68 -49.22 78.58 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.232 1.813 . . . . 0.0 112.499 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -39.31 94.0 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.052 0.842 . . . . 0.0 113.038 -170.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 13.4 p -76.48 -37.73 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.337 0.655 . . . . 0.0 112.264 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.14 -42.16 84.85 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.336 -0.852 . . . . 0.0 111.528 173.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.55 -31.97 72.43 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.356 1.062 . . . . 0.0 113.327 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -63.66 -51.37 65.44 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.879 1.272 . . . . 0.0 111.815 167.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.79 -41.7 91.65 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.93 -9.14 59.45 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.101 1.36 . . . . 0.0 114.341 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 51.05 59.4 4.64 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.16 1.784 . . . . 0.0 113.564 -174.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.406 HG22 ' N ' ' B' ' 34' ' ' SER . 45.4 mm -69.89 168.7 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 123.507 0.723 . . . . 0.0 109.64 160.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' SER . . . . . 0.406 ' N ' HG22 ' B' ' 33' ' ' ILE . 44.8 m -74.8 110.84 10.9 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.886 1.674 . . . . 0.0 113.762 173.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -79.45 -22.97 7.68 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.354 2.702 . . . . 0.0 112.214 163.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -56.65 -42.33 78.74 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.841 1.656 . . . . 0.0 113.012 -173.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.05 -44.9 91.85 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.701 0.8 . . . . 0.0 111.639 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -70.9 -48.72 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 C-N-CA 123.542 0.737 . . . . 0.0 110.444 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -54.31 -47.66 72.21 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.263 0.625 . . . . 0.0 112.538 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -75.43 -37.23 60.53 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -65.73 -45.7 81.64 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 119.001 -0.524 . . . . 0.0 111.566 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.4 tt . . . . . 0 CA--C 1.54 0.588 0 C-N-CA 124.381 1.072 . . . . 0.0 113.258 173.416 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -51.83 -52.39 49.67 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.276 1.398 . . . . 0.0 110.897 176.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -56.56 -36.8 69.73 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.225 1.41 . . . . 0.0 114.637 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.9 m -82.95 -26.67 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.717 1.144 . . . . 0.0 113.727 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -74.57 -44.29 51.61 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.29 0.95 . . . . 0.0 110.804 166.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tt -57.13 -48.14 79.4 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 127.359 2.264 . . . . 0.0 112.29 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -65.05 -34.16 77.76 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.746 0.703 . . . . 0.0 112.862 -174.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.94 -43.86 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.278 1.031 . . . . 0.0 111.339 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -71.67 -42.4 67.52 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.95 -0.468 . . . . 0.0 111.909 175.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -40.1 90.47 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -176.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -67.4 -38.37 84.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.749 0.704 . . . . 0.0 111.98 177.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -74.37 -42.22 59.69 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.463 1.105 . . . . 0.0 113.156 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.47 -8.23 59.7 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.263 1.025 . . . . 0.0 113.354 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.48 60.95 2.39 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.486 2.315 . . . . 0.0 113.346 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.3 mm -71.37 163.36 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.571 -0.706 . . . . 0.0 109.679 159.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.5 m -76.86 108.86 7.35 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.819 1.648 . . . . 0.0 113.194 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.08 -25.64 15.87 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.049 2.499 . . . . 0.0 113.21 172.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -59.94 -30.3 68.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.164 0.586 . . . . 0.0 111.952 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -59.77 -43.02 94.56 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.016 0.927 . . . . 0.0 112.138 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.492 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.2 mp -76.27 -45.0 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 124.202 1.001 . . . . 0.0 110.045 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -56.01 -47.14 78.33 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.22 1.008 . . . . 0.0 112.507 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -72.31 -35.89 68.77 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.629 0.772 . . . . 0.0 112.997 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -51.49 65.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.478 1.111 . . . . 0.0 109.884 173.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.38 -42.66 78.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.177 1.391 . . . . 0.0 113.565 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.7 tp . . . . . 0 CA--C 1.542 0.67 0 C-N-CA 123.861 0.864 . . . . 0.0 112.569 177.318 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 CA--C 1.537 0.468 0 CA-C-O 119.141 -0.457 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -59.17 -44.11 92.15 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.124 0.874 . . . . 0.0 110.851 170.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -64.6 -27.98 69.32 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -75.58 -47.56 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.945 1.248 . . . . 0.0 111.473 167.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -60.47 -40.03 89.75 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.105 0.962 . . . . 0.0 112.277 -175.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.23 -47.78 55.26 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 118.428 -0.796 . . . . 0.0 111.47 172.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -35.98 76.47 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.179 1.354 . . . . 0.0 113.362 -166.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.72 -35.57 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 122.897 0.479 . . . . 0.0 112.219 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -82.11 -41.14 20.9 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.063 0.945 . . . . 0.0 112.605 176.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.92 -31.45 71.76 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.768 1.227 . . . . 0.0 113.679 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -63.9 -50.46 68.64 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.803 0.841 . . . . 0.0 111.459 173.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -71.48 -36.87 71.31 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.286 1.034 . . . . 0.0 113.081 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.2 -9.11 59.71 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.705 1.202 . . . . 0.0 113.206 174.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.73 53.8 10.05 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.823 2.049 . . . . 0.0 113.488 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 38.5 mm -70.84 165.8 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.549 -0.719 . . . . 0.0 109.135 162.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 38.8 m -77.48 110.16 11.75 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.592 1.157 . . . . 0.0 113.268 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.87 -22.82 14.73 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.872 2.382 . . . . 0.0 112.213 167.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -61.33 -30.23 70.38 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.421 -0.799 . . . . 0.0 112.464 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -60.07 -40.92 91.18 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.501 1.12 . . . . 0.0 112.101 174.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.469 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.2 mp -76.92 -44.35 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 124.136 0.974 . . . . 0.0 109.935 176.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 52.2 ttt85 -53.94 -45.04 71.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.457 0.703 . . . . 0.0 112.774 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -73.63 -40.1 64.03 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.046 0.839 . . . . 0.0 113.091 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -42.36 98.33 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.887 0.875 . . . . 0.0 110.391 175.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 50.8 tp . . . . . 0 CA--C 1.545 0.766 0 C-N-CA 124.995 1.318 . . . . 0.0 114.353 174.33 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -71.27 151.52 44.17 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.987 0.915 . . . . 0.0 112.793 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -66.64 149.55 50.33 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.107 0.963 . . . . 0.0 112.583 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.8 tpt -149.01 142.13 24.94 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.696 1.598 . . . . 0.0 110.749 172.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.17 151.89 46.31 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.335 1.054 . . . . 0.0 113.185 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -154.68 160.47 41.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.32 1.448 . . . . 0.0 111.871 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.52 137.91 50.59 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.786 0.834 . . . . 0.0 111.036 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -70.76 -10.65 59.94 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -175.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -142.79 155.4 44.82 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.645 1.578 . . . . 0.0 111.902 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.42 153.81 40.26 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.471 1.108 . . . . 0.0 112.786 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -68.91 150.68 47.48 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.704 1.202 . . . . 0.0 111.696 173.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -123.53 160.07 27.77 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.679 1.592 . . . . 0.0 111.921 176.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -79.23 -1.82 38.23 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.365 1.066 . . . . 0.0 113.655 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -86.59 133.79 33.69 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.907 1.683 . . . . 0.0 111.376 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -139.87 150.27 44.42 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.278 1.031 . . . . 0.0 112.415 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -76.11 127.27 32.59 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.669 1.188 . . . . 0.0 112.547 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.26 149.39 15.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.903 1.681 . . . . 0.0 109.724 169.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -154.15 -73.02 0.13 Allowed 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.66 -17.61 57.53 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -162.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.85 -40.79 98.54 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.877 -1.14 . . . . 0.0 110.853 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -69.0 -36.29 77.66 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.605 1.162 . . . . 0.0 113.722 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.8 p -72.76 -39.5 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.36 0.982 . . . . 0.0 111.583 171.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -66.6 -44.14 82.95 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.455 0.702 . . . . 0.0 112.597 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 pp -65.95 -39.85 90.83 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.218 0.463 . . . . 0.0 111.496 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -63.54 -43.12 98.04 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.791 0.723 . . . . 0.0 112.863 -172.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.57 -42.22 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.136 0.574 . . . . 0.0 111.563 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -79.95 -35.43 37.68 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.43 -31.8 70.76 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.545 1.138 . . . . 0.0 113.623 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -68.13 -40.98 82.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.323 1.049 . . . . 0.0 112.632 174.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -74.81 -37.3 62.38 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.258 1.023 . . . . 0.0 112.425 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.17 -14.62 58.32 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.949 1.299 . . . . 0.0 113.415 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.6 t30 54.73 53.3 10.74 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.647 1.979 . . . . 0.0 113.442 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.4 mm -65.9 155.82 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 163.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.5 m -72.78 113.17 18.92 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 125.176 1.39 . . . . 0.0 112.845 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -72.44 -26.97 16.44 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.959 2.439 . . . . 0.0 112.833 169.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -59.92 -37.65 80.08 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.626 -0.671 . . . . 0.0 112.148 -173.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -56.73 -41.99 78.44 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.311 1.044 . . . . 0.0 112.24 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.447 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.1 mp -74.89 -49.86 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 C-N-CA 123.325 0.65 . . . . 0.0 109.934 175.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -62.45 -35.56 79.68 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.198 0.908 . . . . 0.0 113.149 -174.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -73.47 -36.52 65.85 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.379 0.991 . . . . 0.0 113.368 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -52.34 62.64 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.469 1.108 . . . . 0.0 109.586 171.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.6 tp -55.69 -40.01 71.79 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.926 2.09 . . . . 0.0 114.284 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.1 tp -62.15 -37.35 84.87 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.137 0.975 . . . . 0.0 112.358 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 tt -72.42 -51.15 21.59 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.384 0.674 . . . . 0.0 110.858 168.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -84.85 41.45 0.86 Allowed 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -164.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -73.63 61.02 0.7 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.385 1.474 . . . . 0.0 110.661 170.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 164.22 23.04 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 127.662 2.385 . . . . 0.0 114.653 -168.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 t -160.51 152.03 19.55 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.303 1.841 . . . . 0.0 110.444 169.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.11 156.83 36.63 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.708 0.803 . . . . 0.0 113.11 174.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -66.24 133.5 94.58 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 123.914 0.886 . . . . 0.0 111.972 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -73.81 166.16 30.41 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.703 2.935 . . . . 0.0 113.323 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.15 163.34 54.54 Favored Glycine 0 CA--C 1.544 1.883 0 C-N-CA 123.835 0.731 . . . . 0.0 113.801 171.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.89 152.83 73.53 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.848 3.032 . . . . 0.0 112.792 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.71 -26.48 62.51 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 56.14 21.27 5.04 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.636 1.974 . . . . 0.0 115.756 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -71.15 144.35 50.24 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.214 1.406 . . . . 0.0 111.913 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.9 m -62.93 147.59 49.93 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.745 1.218 . . . . 0.0 112.836 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -153.37 148.97 27.33 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.056 1.342 . . . . 0.0 111.622 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.4 t -153.83 147.24 24.93 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.066 1.346 . . . . 0.0 111.287 174.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.5 t -86.84 58.64 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.916 1.286 . . . . 0.0 110.085 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -145.11 150.83 46.75 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 126.005 1.722 . . . . 0.0 111.532 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -69.09 160.07 51.35 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.502 2.801 . . . . 0.0 112.82 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.6 p90 . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.131 1.372 . . . . 0.0 113.323 174.683 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.529 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -64.68 150.15 47.73 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.608 1.163 . . . . 0.0 113.144 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -66.78 145.88 55.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.905 0.882 . . . . 0.0 112.445 177.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 24.8 ptp -156.74 160.3 39.15 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.615 1.566 . . . . 0.0 111.308 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.1 137.81 56.63 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.481 0.712 . . . . 0.0 112.074 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 14.6 t -78.35 156.97 29.26 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.412 1.085 . . . . 0.0 113.095 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 96.4 mtp -73.76 144.25 45.73 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.505 1.122 . . . . 0.0 111.938 175.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -74.73 132.8 41.93 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 128.299 2.639 . . . . 0.0 111.059 -8.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -75.86 -13.51 60.27 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 115.192 1.552 . . . . 0.0 115.192 -169.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.52 138.71 23.67 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.474 1.11 . . . . 0.0 112.461 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -80.5 151.24 29.32 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.238 1.415 . . . . 0.0 111.606 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -111.12 150.53 29.3 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.249 1.42 . . . . 0.0 111.186 167.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -107.86 15.14 24.76 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -169.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -67.41 123.38 20.23 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.104 -0.997 . . . . 0.0 111.485 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -79.31 168.93 18.85 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.56 1.144 . . . . 0.0 112.87 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -70.78 131.85 44.45 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.476 -0.765 . . . . 0.0 111.844 172.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.4 tp -62.37 -32.91 73.78 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.961 0.904 . . . . 0.0 111.905 172.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.72 -36.54 69.81 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.9 1.28 . . . . 0.0 113.745 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -75.67 -20.71 58.26 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -172.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -70.35 -52.22 24.24 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.149 0.886 . . . . 0.0 110.099 162.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -64.75 -33.78 76.79 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.017 1.327 . . . . 0.0 114.321 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 t -71.79 -45.43 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.825 1.25 . . . . 0.0 112.103 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -64.44 -45.48 87.33 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.802 0.728 . . . . 0.0 111.234 172.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 tt -56.99 -48.0 79.46 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.813 1.645 . . . . 0.0 111.455 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -46.77 87.57 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.102 0.961 . . . . 0.0 112.376 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 70.1 t -69.25 -46.13 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.479 0.711 . . . . 0.0 111.531 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -74.27 -39.06 63.24 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.434 -0.791 . . . . 0.0 113.077 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.37 -31.27 71.39 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.199 1.0 . . . . 0.0 113.296 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -60.01 -47.2 86.83 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.523 1.129 . . . . 0.0 112.007 169.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -74.72 -32.85 62.25 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.57 -16.27 56.21 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 23.2 m120 54.88 51.86 12.95 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.274 1.83 . . . . 0.0 113.432 -171.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 11.9 mm -68.3 166.72 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 162.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m -77.55 109.87 10.92 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 124.587 1.155 . . . . 0.0 113.613 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -75.21 -21.58 15.32 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.011 2.474 . . . . 0.0 112.783 167.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -60.43 -32.41 71.33 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.155 0.982 . . . . 0.0 112.205 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -59.87 -44.37 94.19 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.049 0.94 . . . . 0.0 112.025 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.46 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.4 mp -72.93 -46.27 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 123.962 0.905 . . . . 0.0 109.765 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -63.01 -44.34 96.25 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -68.1 -36.86 80.46 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.418 1.008 . . . . 0.0 112.471 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.96 -49.5 65.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.313 0.645 . . . . 0.0 111.055 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 tp -53.02 -39.03 62.87 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.263 1.825 . . . . 0.0 114.0 175.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.3 mt -64.37 -25.57 68.09 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 68.4 tp -90.09 -47.64 7.69 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.205 1.002 . . . . 0.0 111.484 167.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -79.3 58.3 2.54 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 128.09 2.556 . . . . 0.0 111.502 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -77.18 45.11 0.44 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.472 1.509 . . . . 0.0 112.396 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -81.8 171.65 14.27 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.799 2.04 . . . . 0.0 113.306 -172.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 93.2 p -142.17 173.89 11.11 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.975 2.11 . . . . 0.0 110.478 171.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.51 143.1 51.04 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -151.8 157.83 34.28 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 125.935 1.694 . . . . 0.0 111.117 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -68.09 164.8 30.64 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.091 2.528 . . . . 0.0 112.174 172.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.58 146.17 45.02 Favored Glycine 0 CA--C 1.544 1.865 0 CA-C-O 119.405 -0.664 . . . . 0.0 113.733 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -71.85 157.86 54.18 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.689 2.926 . . . . 0.0 112.834 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.1 159.52 34.56 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.138 0.975 . . . . 0.0 112.6 171.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.69 155.12 40.6 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.158 1.383 . . . . 0.0 111.727 177.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -58.11 -30.4 66.26 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 125.017 1.327 . . . . 0.0 113.582 -176.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.9 m -70.62 -17.0 62.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.062 1.345 . . . . 0.0 114.449 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -70.91 139.31 50.69 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.168 0.895 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 12.3 t -157.9 156.74 31.87 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.242 1.417 . . . . 0.0 111.062 173.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 82.1 t -76.19 128.02 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.092 0.957 . . . . 0.0 110.043 174.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -70.41 150.14 95.73 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 123.34 0.656 . . . . 0.0 112.538 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -62.97 -24.75 74.02 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.137 2.558 . . . . 0.0 115.055 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 126.563 1.945 . . . . 0.0 111.793 -178.238 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.494 0 N-CA-C 111.723 -0.551 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -57.77 145.57 34.35 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.724 1.21 . . . . 0.0 112.922 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 53.57 28.96 8.43 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.902 1.281 . . . . 0.0 113.57 -175.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 94.7 mtp 55.8 18.91 3.17 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.568 2.347 . . . . 0.0 115.098 -172.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.47 151.76 38.0 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.309 1.043 . . . . 0.0 112.503 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.5 p -75.71 146.76 39.9 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.599 1.159 . . . . 0.0 112.327 172.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -74.44 145.0 44.0 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.366 1.066 . . . . 0.0 112.218 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -72.49 140.32 48.15 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.672 1.189 . . . . 0.0 110.907 172.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -70.66 116.76 11.35 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.85 0.86 . . . . 0.0 112.215 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.16 167.25 30.95 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.654 1.582 . . . . 0.0 111.515 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.38 142.64 57.73 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.115 0.966 . . . . 0.0 111.232 173.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -140.58 39.56 1.87 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.145 1.378 . . . . 0.0 112.607 -172.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -74.0 -8.38 55.92 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -83.24 143.57 30.35 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.634 1.574 . . . . 0.0 112.148 165.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -146.96 167.27 24.4 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.388 1.475 . . . . 0.0 111.939 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -142.08 157.29 45.08 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.581 1.552 . . . . 0.0 111.362 174.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.36 149.09 27.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.321 1.049 . . . . 0.0 112.015 -169.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -146.42 107.61 4.2 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.398 1.479 . . . . 0.0 111.014 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 58.58 -5.19 0.06 Allowed 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 118.858 2.91 . . . . 0.0 118.858 169.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -54.84 -40.6 69.78 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 121.138 1.79 . . . . 0.0 111.443 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -62.69 -25.65 68.26 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.448 1.499 . . . . 0.0 114.654 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -81.0 -44.99 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.19 0.905 . . . . 0.0 110.655 171.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.15 -39.56 93.17 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.152 0.981 . . . . 0.0 113.095 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 pp -70.12 -39.48 75.44 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.631 -0.668 . . . . 0.0 111.521 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -64.85 -44.94 88.14 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 118.965 0.802 . . . . 0.0 112.575 -171.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.3 -34.7 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -80.75 -35.13 33.73 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.504 -0.747 . . . . 0.0 112.84 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.9 73.11 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.019 -1.051 . . . . 0.0 113.455 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.03 -46.09 86.02 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.124 0.97 . . . . 0.0 112.355 170.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -70.28 -38.69 75.1 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.266 1.026 . . . . 0.0 112.2 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.43 -15.39 55.26 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.438 1.495 . . . . 0.0 114.209 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 54.96 50.98 14.33 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.101 1.76 . . . . 0.0 112.724 -173.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.1 mm -67.36 161.64 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 O-C-N 121.834 -0.542 . . . . 0.0 109.644 165.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.3 m -79.63 111.55 22.02 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.002 1.321 . . . . 0.0 113.438 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -72.76 -25.11 17.42 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 123.619 2.879 . . . . 0.0 112.99 168.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -60.8 -32.66 72.01 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.616 -0.678 . . . . 0.0 112.511 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -60.23 -41.96 94.24 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.544 1.138 . . . . 0.0 112.273 175.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.419 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.3 mp -74.64 -46.08 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.432 0.693 . . . . 0.0 109.961 177.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -59.7 -44.25 93.75 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.895 0.771 . . . . 0.0 112.944 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -67.08 -35.21 79.32 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 119.856 1.207 . . . . 0.0 113.091 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.01 -52.29 56.9 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.09 0.956 . . . . 0.0 110.058 172.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.48 -37.29 67.63 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.785 1.634 . . . . 0.0 114.181 176.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.7 mt -64.82 -27.23 68.74 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.3 tp -82.08 -55.27 4.67 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.9 0.773 . . . . 0.0 111.001 164.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -81.1 64.17 5.74 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.873 1.669 . . . . 0.0 110.394 -170.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -77.86 38.95 0.28 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.883 1.673 . . . . 0.0 112.657 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -74.96 163.1 27.99 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.633 1.973 . . . . 0.0 112.606 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -146.59 81.36 1.57 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.944 1.297 . . . . 0.0 110.525 170.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.25 43.51 26.33 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.133 1.773 . . . . 0.0 114.86 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -64.51 145.76 98.38 Favored Pre-proline 0 CA--C 1.55 0.968 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -174.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -77.28 -27.06 6.89 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 124.046 3.164 . . . . 0.0 113.821 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.94 166.39 39.67 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 126.016 1.769 . . . . 0.0 114.302 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.42 -23.97 37.27 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.695 2.93 . . . . 0.0 114.037 -171.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.36 -38.47 91.15 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.351 -0.843 . . . . 0.0 112.74 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.73 -35.73 72.83 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.919 0.887 . . . . 0.0 112.564 174.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -70.66 -36.26 73.28 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.471 1.108 . . . . 0.0 112.502 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.0 t -66.79 -31.59 72.32 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.543 1.137 . . . . 0.0 111.832 168.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 66.22 -20.12 0.1 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.75 2.82 . . . . 0.0 115.819 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.6 p -71.49 -36.36 71.09 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.545 1.938 . . . . 0.0 113.206 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 82.5 t -74.15 -44.91 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.409 1.083 . . . . 0.0 111.235 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -154.59 151.83 24.57 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 125.908 1.683 . . . . 0.0 109.858 167.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -65.61 156.04 65.86 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.364 2.043 . . . . 0.0 112.281 172.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.2 t80 . . . . . 0 C--O 1.255 1.346 0 C-N-CA 125.713 1.605 . . . . 0.0 112.105 174.257 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 57.7 p -71.87 167.41 20.08 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.982 0.913 . . . . 0.0 112.931 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -62.07 -17.81 58.68 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 175.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 71.5 mtm -71.14 -15.18 62.48 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.559 1.144 . . . . 0.0 113.489 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.3 -9.23 10.87 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -67.51 -13.62 62.21 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.098 1.359 . . . . 0.0 114.139 171.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 20.7 ptp -63.42 157.3 23.6 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.097 0.959 . . . . 0.0 112.522 174.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -73.45 68.65 1.14 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.653 1.581 . . . . 0.0 111.39 174.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -70.63 148.2 48.35 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.488 1.915 . . . . 0.0 113.14 -172.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.54 166.45 21.15 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.94 1.296 . . . . 0.0 113.039 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -144.56 148.4 34.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.613 1.565 . . . . 0.0 111.365 176.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -67.33 -9.25 39.25 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -66.1 -15.4 63.06 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -80.51 50.4 1.3 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.242 1.017 . . . . 0.0 113.657 -169.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -63.99 153.37 37.45 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.02 1.328 . . . . 0.0 112.568 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -150.51 150.73 31.66 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.734 1.213 . . . . 0.0 112.035 -177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.8 tp -68.72 143.1 54.81 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.26 1.424 . . . . 0.0 112.228 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -76.89 35.13 0.15 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 125.329 1.452 . . . . 0.0 113.984 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 57.6 8.36 0.64 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.724 2.41 . . . . 0.0 117.131 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.88 -54.47 28.89 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.802 1.637 . . . . 0.0 111.695 -174.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -60.32 -28.02 67.8 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.0 t -84.74 -42.95 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.669 0.787 . . . . 0.0 111.939 -175.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -66.48 -34.49 78.04 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.923 -0.486 . . . . 0.0 111.153 171.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.08 -54.44 30.0 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.398 1.879 . . . . 0.0 112.449 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -35.85 82.07 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -168.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.62 -38.44 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -78.46 -39.03 39.66 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.376 -0.827 . . . . 0.0 112.578 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.31 -31.25 71.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.118 0.967 . . . . 0.0 112.944 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -62.61 -52.0 65.11 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.616 1.166 . . . . 0.0 112.42 171.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -75.08 -31.69 61.29 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -176.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.06 -15.97 59.41 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.008 0.923 . . . . 0.0 112.927 170.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 54.09 54.18 10.02 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.518 2.327 . . . . 0.0 113.138 -176.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.06 165.65 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 159.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 49.8 m -78.01 109.04 8.73 Favored Pre-proline 0 CA--C 1.547 0.865 0 O-C-N 120.797 -1.189 . . . . 0.0 113.569 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -74.52 -21.48 16.98 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.949 2.433 . . . . 0.0 112.746 167.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -58.28 -34.93 71.06 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.533 0.733 . . . . 0.0 111.216 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -57.87 -42.36 84.38 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.236 1.015 . . . . 0.0 112.219 176.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.459 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.3 mp -75.16 -45.21 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 123.715 0.806 . . . . 0.0 109.887 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -58.15 -42.63 86.33 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -75.11 -33.79 61.64 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.777 0.831 . . . . 0.0 113.084 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -47.48 79.88 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.287 0.635 . . . . 0.0 110.36 170.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.9 mt -53.17 -44.81 68.15 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.666 1.121 . . . . 0.0 112.758 171.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 63.9 tp -65.34 -40.54 93.8 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.852 0.861 . . . . 0.0 112.979 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 66.7 tp -72.04 -35.99 69.52 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.816 1.247 . . . . 0.0 112.078 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -74.57 -16.49 60.81 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.224 1.81 . . . . 0.0 112.263 174.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt 57.47 24.73 10.57 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 127.637 2.375 . . . . 0.0 114.104 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -88.32 143.9 26.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.354 1.462 . . . . 0.0 112.274 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 34.4 t -161.82 146.94 13.17 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.65 1.58 . . . . 0.0 110.55 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.3 142.76 54.23 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.698 0.799 . . . . 0.0 112.925 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -131.9 151.65 78.89 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 126.01 1.724 . . . . 0.0 111.497 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.66 -40.69 3.68 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.296 2.664 . . . . 0.0 113.843 -175.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 153.76 177.68 27.48 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.507 1.527 . . . . 0.0 113.885 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -70.04 157.34 60.18 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 124.077 3.185 . . . . 0.0 112.888 177.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.22 144.99 53.56 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.162 0.985 . . . . 0.0 112.623 175.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.15 163.26 23.23 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.736 1.215 . . . . 0.0 112.685 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.14 -35.53 77.33 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.377 1.071 . . . . 0.0 111.911 171.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -150.2 141.54 23.28 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.931 1.693 . . . . 0.0 110.031 162.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -91.56 0.76 57.47 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.438 1.095 . . . . 0.0 113.058 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 67.3 p -70.55 150.92 45.61 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.304 1.041 . . . . 0.0 112.598 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 m -75.51 153.3 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.272 1.029 . . . . 0.0 112.396 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -69.1 149.28 97.72 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 123.995 0.918 . . . . 0.0 111.81 173.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.4 157.04 63.48 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.31 2.673 . . . . 0.0 112.744 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 81.8 t80 . . . . . 0 C--O 1.255 1.35 0 C-N-CA 125.192 1.397 . . . . 0.0 112.529 176.322 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.986 -0.446 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 t -153.38 153.21 32.12 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.184 1.394 . . . . 0.0 111.629 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -152.66 164.28 38.03 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.479 1.512 . . . . 0.0 111.75 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -59.43 139.62 56.91 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.014 1.326 . . . . 0.0 112.252 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.97 161.76 41.26 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.352 1.461 . . . . 0.0 111.817 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -151.02 154.01 36.22 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.135 1.374 . . . . 0.0 111.937 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.1 ttm -66.57 -29.34 69.39 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.494 1.118 . . . . 0.0 112.529 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -153.94 121.53 5.88 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.164 1.385 . . . . 0.0 111.153 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -79.31 147.33 32.51 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.815 0.846 . . . . 0.0 111.827 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.57 -9.09 59.79 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -63.58 134.8 56.15 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.046 1.338 . . . . 0.0 112.719 -174.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -75.12 166.4 23.7 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.091 1.356 . . . . 0.0 112.527 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -68.39 -22.84 64.61 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 m80 49.2 51.23 16.64 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.365 1.466 . . . . 0.0 113.173 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -56.13 138.31 49.97 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.461 1.104 . . . . 0.0 113.438 -174.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -102.59 27.93 6.47 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.704 1.601 . . . . 0.0 112.099 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.3 tp -77.98 51.73 0.99 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.031 2.133 . . . . 0.0 113.959 -166.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -71.6 -42.4 67.75 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -169.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -122.45 -15.63 7.54 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -162.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -58.73 -42.2 88.22 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.289 1.404 . . . . 0.0 111.247 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -63.29 -28.33 69.95 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.427 1.491 . . . . 0.0 113.96 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.67 -46.29 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 118.892 0.769 . . . . 0.0 110.77 171.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -66.39 -32.52 73.96 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 pp -72.45 -45.54 59.11 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.017 0.826 . . . . 0.0 111.452 169.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -62.62 -42.58 99.67 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.975 0.91 . . . . 0.0 112.888 -171.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.2 p -62.16 -33.04 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.604 0.762 . . . . 0.0 112.932 -176.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -104.45 -29.51 10.65 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.94 -32.51 69.65 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.696 1.134 . . . . 0.0 113.46 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -66.16 -34.96 79.23 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 172.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -83.73 -34.92 24.76 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.132 1.373 . . . . 0.0 112.809 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.87 -15.09 58.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.991 1.317 . . . . 0.0 112.752 172.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m120 59.46 50.66 7.3 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 127.599 2.36 . . . . 0.0 113.231 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.4 mm -64.24 160.88 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.31 0.644 . . . . 0.0 109.676 164.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.8 m -76.27 112.38 20.73 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.897 1.279 . . . . 0.0 112.992 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -74.61 -22.47 15.71 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.238 2.625 . . . . 0.0 113.456 170.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.48 -38.2 83.5 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.394 0.677 . . . . 0.0 112.515 -169.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -56.53 -43.55 79.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.287 1.035 . . . . 0.0 111.993 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.512 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.0 mp -72.43 -51.84 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 C-N-CA 123.943 0.897 . . . . 0.0 109.453 176.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -56.81 -33.08 66.37 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.288 1.035 . . . . 0.0 112.919 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -86.23 -43.34 13.05 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.354 1.462 . . . . 0.0 114.038 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.78 -37.18 85.66 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.516 1.053 . . . . 0.0 111.697 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.4 tp -55.41 -24.94 32.91 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.876 2.07 . . . . 0.0 114.994 170.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -75.54 -35.13 60.76 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.3 0.955 . . . . 0.0 112.451 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.2 tp -79.72 -43.14 23.18 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.862 1.265 . . . . 0.0 112.409 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.33 109.85 4.36 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.424 1.09 . . . . 0.0 111.981 -166.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -81.04 -62.28 1.71 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.405 0.682 . . . . 0.0 111.338 167.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 mttp 56.66 -38.79 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 129.505 3.122 . . . . 0.0 116.969 -172.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.1 m -64.12 155.78 30.44 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.433 1.493 . . . . 0.0 112.841 173.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.27 160.04 41.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.096 1.358 . . . . 0.0 112.361 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -148.14 145.86 21.84 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 125.771 1.629 . . . . 0.0 111.205 -175.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -74.65 -41.89 0.7 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.021 2.481 . . . . 0.0 113.509 -174.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -87.72 166.96 36.3 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.158 1.361 . . . . 0.0 113.849 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -74.93 82.02 2.07 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 124.198 3.265 . . . . 0.0 111.453 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.5 -32.04 69.38 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 121.307 -0.871 . . . . 0.0 112.786 175.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.85 170.49 16.51 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.139 1.375 . . . . 0.0 112.439 170.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -67.49 -6.59 20.34 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.5 t -67.4 167.29 12.89 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.091 1.357 . . . . 0.0 113.135 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -67.78 163.94 20.63 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.804 1.242 . . . . 0.0 113.269 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -65.94 147.01 54.04 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.95 0.9 . . . . 0.0 110.87 172.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.0 p -59.26 143.43 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.27 1.028 . . . . 0.0 112.127 177.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 65.0 t30 50.85 60.29 14.97 Favored Pre-proline 0 CA--C 1.557 1.248 0 C-N-CA 125.704 1.602 . . . . 0.0 113.428 -175.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -68.28 158.28 58.23 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 123.58 2.853 . . . . 0.0 112.946 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 125.166 1.386 . . . . 0.0 113.11 176.691 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -78.48 54.19 1.41 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.832 1.653 . . . . 0.0 113.391 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -67.38 151.3 47.67 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.678 1.191 . . . . 0.0 112.985 -177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 59.2 tpp -67.31 -28.77 68.27 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.254 1.022 . . . . 0.0 113.192 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -149.71 165.07 33.49 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.729 1.612 . . . . 0.0 112.012 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -151.22 149.1 29.03 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.607 1.563 . . . . 0.0 111.132 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -62.29 -16.48 54.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.176 0.991 . . . . 0.0 113.566 174.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -73.61 -22.9 59.88 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.199 1.4 . . . . 0.0 113.11 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -72.45 156.91 38.55 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.254 1.022 . . . . 0.0 112.447 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.41 150.49 33.6 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.096 1.358 . . . . 0.0 111.832 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -153.79 151.25 29.35 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.092 1.757 . . . . 0.0 110.887 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -134.76 151.44 50.97 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.493 1.517 . . . . 0.0 111.019 175.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -81.35 6.65 13.73 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.479 1.112 . . . . 0.0 113.683 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -76.97 52.43 0.87 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.59 1.956 . . . . 0.0 112.712 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -66.26 157.27 31.95 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.324 1.45 . . . . 0.0 113.215 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -148.55 151.82 35.75 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.735 1.614 . . . . 0.0 111.161 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -132.8 147.24 52.31 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.331 1.452 . . . . 0.0 112.264 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -156.29 163.82 39.07 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.271 1.429 . . . . 0.0 111.467 -176.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 60.85 -39.6 0.1 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 129.573 3.149 . . . . 0.0 116.808 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.98 -42.59 63.05 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.533 1.515 . . . . 0.0 111.66 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -61.38 -29.48 69.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.165 1.386 . . . . 0.0 114.388 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -79.74 -44.22 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 119.106 0.866 . . . . 0.0 110.859 173.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.79 -42.55 97.7 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.372 0.669 . . . . 0.0 112.459 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.56 -38.96 77.65 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.599 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -51.02 68.91 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.771 1.169 . . . . 0.0 113.36 -169.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.42 -37.01 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 122.101 -0.374 . . . . 0.0 111.79 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -74.74 -38.85 62.15 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.032 0.933 . . . . 0.0 112.455 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.53 -34.26 76.74 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.609 1.164 . . . . 0.0 113.037 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -63.47 -44.97 92.9 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.316 1.046 . . . . 0.0 111.631 169.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -68.51 -40.27 80.91 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.789 0.836 . . . . 0.0 112.867 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.72 -12.74 55.41 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.197 1.399 . . . . 0.0 114.327 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 m120 56.25 57.22 5.14 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.537 1.935 . . . . 0.0 113.717 -173.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 37.3 mm -65.23 164.19 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 121.586 -0.696 . . . . 0.0 109.45 158.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 74.9 m -77.33 110.33 12.09 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.936 1.294 . . . . 0.0 113.053 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.8 -21.26 18.99 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.482 2.788 . . . . 0.0 112.963 169.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -56.45 -37.19 69.95 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.012 0.925 . . . . 0.0 111.669 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -59.16 -40.49 85.74 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.172 0.989 . . . . 0.0 112.532 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.437 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.3 mp -76.39 -45.21 34.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 123.924 0.89 . . . . 0.0 110.099 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -60.85 -44.15 97.39 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.724 0.81 . . . . 0.0 112.618 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -71.04 -35.0 71.81 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.113 0.869 . . . . 0.0 113.03 178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -53.27 56.83 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.223 1.009 . . . . 0.0 109.634 170.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 65.4 tp -55.85 -34.02 65.06 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.06 1.744 . . . . 0.0 114.721 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.07 -31.56 72.79 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.122 0.873 . . . . 0.0 113.14 175.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 86.8 mt -88.95 -50.81 5.96 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.634 1.174 . . . . 0.0 111.37 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -77.68 59.3 1.97 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.739 2.416 . . . . 0.0 110.086 172.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -77.84 40.71 0.32 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.849 1.66 . . . . 0.0 112.807 -176.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -84.71 168.01 15.62 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.512 2.325 . . . . 0.0 112.843 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 88.3 p -155.55 164.65 38.37 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.021 1.728 . . . . 0.0 111.068 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.73 142.65 56.21 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.555 0.742 . . . . 0.0 112.465 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -73.51 148.29 87.85 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 123.934 0.894 . . . . 0.0 112.618 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.32 172.97 13.84 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 123.628 2.885 . . . . 0.0 113.02 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.24 -133.89 0.63 Allowed Glycine 0 CA--C 1.544 1.902 0 C-N-CA 125.709 1.624 . . . . 0.0 113.4 173.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -56.7 -14.49 13.58 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.07 3.18 . . . . 0.0 116.526 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.26 -12.74 61.51 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.656 1.183 . . . . 0.0 114.108 170.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.42 -10.06 52.67 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.044 1.337 . . . . 0.0 114.587 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -59.57 159.44 8.39 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.848 1.659 . . . . 0.0 113.932 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.4 p -69.93 -17.45 63.32 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -175.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -146.5 125.4 12.73 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.99 1.316 . . . . 0.0 111.44 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 43.0 p -68.69 -35.28 76.98 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 121.328 -0.857 . . . . 0.0 112.472 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 35.9 m -135.89 165.16 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 127.15 2.18 . . . . 0.0 110.528 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -55.92 126.76 66.98 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 123.73 0.812 . . . . 0.0 111.737 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -59.93 148.11 90.06 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.221 2.614 . . . . 0.0 114.921 -175.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.533 1.533 . . . . 0.0 113.24 179.215 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.116 -0.394 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -66.91 155.7 37.74 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.472 1.109 . . . . 0.0 112.903 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 58.39 18.99 6.0 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.134 1.774 . . . . 0.0 115.437 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.1 tpt -68.2 143.87 55.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.589 1.156 . . . . 0.0 112.285 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.19 149.59 50.26 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.448 1.099 . . . . 0.0 113.035 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 m -71.8 -20.78 61.8 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 73.7 mtm 54.11 29.5 10.48 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.468 1.907 . . . . 0.0 114.436 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -69.74 157.82 36.59 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.328 1.451 . . . . 0.0 113.283 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -70.03 160.25 32.32 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.21 1.004 . . . . 0.0 112.602 174.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.52 157.98 30.83 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.285 1.034 . . . . 0.0 113.17 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -67.71 169.33 9.7 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.027 1.331 . . . . 0.0 113.683 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -66.5 143.74 56.89 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.614 0.766 . . . . 0.0 111.604 165.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -103.83 21.89 15.47 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -170.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -72.68 151.44 42.23 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.979 0.912 . . . . 0.0 112.281 172.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.33 167.32 22.74 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.429 1.492 . . . . 0.0 112.249 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -144.28 153.98 42.6 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.243 1.817 . . . . 0.0 109.698 167.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 tt -146.25 124.69 12.37 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.689 0.796 . . . . 0.0 111.167 -172.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -77.76 102.1 7.01 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.549 1.14 . . . . 0.0 113.191 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 62.45 -17.4 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 118.707 2.855 . . . . 0.0 118.707 161.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -51.84 -49.18 63.36 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 120.963 1.71 . . . . 0.0 111.398 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -56.64 -31.97 64.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.663 1.585 . . . . 0.0 114.587 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.9 t -81.47 -43.13 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.094 0.558 . . . . 0.0 111.578 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -64.65 -40.81 96.08 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.218 0.532 . . . . 0.0 111.033 171.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tt -58.31 -51.67 68.8 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.249 1.819 . . . . 0.0 111.715 175.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -62.28 -33.97 75.66 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.617 1.099 . . . . 0.0 113.132 -172.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.8 t -72.37 -48.8 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.622 0.769 . . . . 0.0 111.362 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -73.32 -37.5 66.14 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.646 -0.659 . . . . 0.0 112.363 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.34 -31.1 69.32 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.192 0.997 . . . . 0.0 113.351 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.4 -40.61 93.63 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.937 1.295 . . . . 0.0 112.473 169.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -69.89 -42.15 73.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.259 0.623 . . . . 0.0 112.296 173.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.9 -16.68 49.8 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 115.416 1.635 . . . . 0.0 115.416 -176.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 57.34 71.24 0.59 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.393 1.877 . . . . 0.0 113.187 -172.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.8 mm -105.25 69.75 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.123 1.369 . . . . 0.0 111.648 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 m 45.46 62.37 10.87 Favored Pre-proline 0 CA--C 1.554 1.097 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 162.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -58.08 -22.87 58.02 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 123.692 2.928 . . . . 0.0 114.042 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -56.83 -35.03 68.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.375 1.07 . . . . 0.0 113.03 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -58.38 -38.67 77.77 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.301 0.955 . . . . 0.0 112.13 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.414 HD12 ' H ' ' A' ' 38' ' ' ILE . 3.9 mp -82.38 -48.39 18.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 125.241 1.416 . . . . 0.0 109.898 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -59.67 -36.57 76.7 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.076 0.95 . . . . 0.0 112.845 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -76.24 -42.05 47.09 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.36 1.064 . . . . 0.0 112.733 174.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.07 -35.94 80.93 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.506 0.594 . . . . 0.0 111.135 -176.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.8 mt -54.65 -25.36 26.33 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 170.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.5 mt -76.11 -32.69 59.31 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.54 1.064 . . . . 0.0 112.662 175.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.6 tp -89.07 -35.79 16.13 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.738 1.615 . . . . 0.0 113.203 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -62.97 112.18 2.48 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.905 1.282 . . . . 0.0 113.03 -162.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -77.63 -0.73 27.7 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -60.44 155.69 17.71 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.731 1.151 . . . . 0.0 111.456 172.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.8 m 60.21 11.83 3.0 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.207 1.803 . . . . 0.0 115.58 -156.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 53.57 34.92 19.64 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.51 1.924 . . . . 0.0 115.703 165.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -66.28 142.25 97.72 Favored Pre-proline 0 CA--C 1.552 1.022 0 O-C-N 121.294 -0.879 . . . . 0.0 112.242 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -72.27 164.06 36.78 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 123.608 2.872 . . . . 0.0 112.955 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.95 149.85 45.14 Favored Glycine 0 CA--C 1.542 1.749 0 C-N-CA 123.576 0.608 . . . . 0.0 113.012 172.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -67.01 141.2 57.13 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.293 2.662 . . . . 0.0 112.236 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 54.64 23.71 4.93 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.125 1.77 . . . . 0.0 115.674 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.43 143.9 56.83 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.129 -0.982 . . . . 0.0 112.665 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -142.92 157.41 44.6 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.431 1.892 . . . . 0.0 111.753 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -78.03 142.71 38.04 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.152 0.981 . . . . 0.0 111.686 172.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -142.69 158.67 43.42 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.902 1.681 . . . . 0.0 111.727 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.5 t -151.91 155.74 38.7 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.85 1.26 . . . . 0.0 112.044 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.4 m -78.56 -13.43 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.841 1.256 . . . . 0.0 113.303 172.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -68.91 153.54 95.93 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.111 0.964 . . . . 0.0 112.958 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -60.38 159.58 26.68 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 123.722 2.948 . . . . 0.0 114.672 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 127.04 2.136 . . . . 0.0 113.762 176.033 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.5 t -153.62 159.46 42.12 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.276 1.43 . . . . 0.0 111.448 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -68.69 136.51 53.02 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.096 0.959 . . . . 0.0 112.368 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 94.1 mtp -88.16 -2.87 58.86 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.838 1.255 . . . . 0.0 114.373 -173.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.02 176.35 9.36 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.881 1.672 . . . . 0.0 111.978 -175.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t -141.66 153.66 44.85 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.529 1.532 . . . . 0.0 111.662 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 64.4 ttp -67.51 -29.97 69.52 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.604 1.161 . . . . 0.0 112.965 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -64.56 118.17 8.43 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.299 1.04 . . . . 0.0 111.188 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -145.96 -14.25 0.47 Allowed 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -174.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.54 145.36 47.5 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.889 0.876 . . . . 0.0 113.051 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -155.72 148.7 24.39 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.884 1.673 . . . . 0.0 111.103 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -116.17 150.64 37.11 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.24 1.416 . . . . 0.0 111.283 168.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -77.66 142.83 38.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.986 0.914 . . . . 0.0 112.776 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -80.81 -19.82 43.85 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -75.22 143.2 43.25 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -162.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.07 -6.76 1.62 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.198 1.799 . . . . 0.0 113.898 175.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.3 -26.0 64.6 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.846 1.658 . . . . 0.0 113.48 -178.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -58.01 -24.84 59.89 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.466 1.507 . . . . 0.0 113.885 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -95.66 -17.71 21.1 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.48 1.112 . . . . 0.0 113.546 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -61.04 -44.34 97.54 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.363 0.983 . . . . 0.0 110.241 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -62.9 -38.74 92.17 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.774 1.229 . . . . 0.0 114.315 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 8.6 m -76.48 -31.8 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.329 0.968 . . . . 0.0 112.067 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -72.89 -44.78 60.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.771 0.829 . . . . 0.0 112.265 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 pp -66.64 -37.03 83.97 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.685 177.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -58.73 -51.65 69.05 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.464 1.029 . . . . 0.0 112.782 -171.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.43 -44.65 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 123.482 0.713 . . . . 0.0 111.189 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -67.16 -40.63 86.68 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.31 0.644 . . . . 0.0 112.116 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.95 -33.92 75.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.467 1.107 . . . . 0.0 113.615 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -69.85 -41.16 75.26 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.91 1.284 . . . . 0.0 112.254 172.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -70.03 -45.69 66.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.755 0.822 . . . . 0.0 112.447 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.85 -0.76 57.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.07 1.348 . . . . 0.0 114.507 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 60.7 t30 54.72 56.82 6.29 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.836 1.655 . . . . 0.0 113.998 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 45.0 mm -65.93 167.87 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 158.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -67.83 118.85 61.89 Favored Pre-proline 0 N--CA 1.475 0.786 0 O-C-N 120.487 -1.383 . . . . 0.0 112.426 170.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -84.25 -28.58 1.12 Allowed 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.564 2.176 . . . . 0.0 111.838 160.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.74 -34.33 76.97 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.218 -0.926 . . . . 0.0 112.043 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -56.68 -38.18 71.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.372 0.669 . . . . 0.0 112.558 174.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -79.52 -51.16 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.559 1.143 . . . . 0.0 110.845 174.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -61.0 -36.5 79.64 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.998 0.817 . . . . 0.0 113.159 -175.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.7 pttm -71.8 -37.8 70.35 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.341 0.973 . . . . 0.0 112.832 175.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -67.4 -45.73 75.3 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.612 1.565 . . . . 0.0 110.238 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.3 tp -52.88 -47.29 67.99 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.237 1.815 . . . . 0.0 113.318 173.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.3 mt -62.97 -25.24 68.27 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 90.0 mt -93.4 -17.54 23.39 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.611 1.564 . . . . 0.0 113.908 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -143.8 31.97 1.28 Allowed 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.892 1.442 . . . . 0.0 114.892 -159.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -61.88 -32.27 72.62 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.175 -0.953 . . . . 0.0 113.282 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . 0.27 23.0 pttm 45.96 -146.63 0.15 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 128.238 2.615 . . . . 0.0 114.522 166.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.5 m 53.69 39.9 30.79 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.557 1.543 . . . . 0.0 114.329 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 55.48 38.11 29.81 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.018 1.727 . . . . 0.0 114.638 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -55.1 136.38 67.59 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 124.379 1.072 . . . . 0.0 111.832 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -65.89 159.43 48.97 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.383 2.722 . . . . 0.0 113.522 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.36 -77.72 0.24 Allowed Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.52 1.533 . . . . 0.0 111.753 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -61.6 156.14 49.2 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.83 3.02 . . . . 0.0 114.02 176.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . 52.97 41.42 32.09 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.743 1.617 . . . . 0.0 114.705 172.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.63 148.07 43.72 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.361 1.065 . . . . 0.0 112.973 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -119.31 19.75 12.71 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.735 1.614 . . . . 0.0 113.93 -170.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.3 m -59.64 141.52 54.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.19 1.396 . . . . 0.0 113.022 -177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -70.72 153.28 42.95 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.258 1.023 . . . . 0.0 112.828 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 33.2 p -69.83 141.44 53.28 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.362 1.065 . . . . 0.0 112.111 174.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 67.4 t -76.67 134.03 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.329 1.052 . . . . 0.0 110.621 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -71.55 147.66 92.5 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 123.845 0.858 . . . . 0.0 112.548 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.33 152.5 79.04 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.335 2.69 . . . . 0.0 112.747 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 81.1 t80 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.234 1.414 . . . . 0.0 112.573 176.944 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -68.99 149.76 48.44 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.952 0.901 . . . . 0.0 112.65 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -73.64 105.76 5.1 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.012 0.925 . . . . 0.0 110.925 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 99.6 mmm -74.87 154.06 38.39 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.434 1.093 . . . . 0.0 112.822 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.77 -19.84 64.38 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 m -73.57 -17.3 61.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.13 1.372 . . . . 0.0 114.072 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 65.6 mtt -78.72 146.91 33.66 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.542 1.137 . . . . 0.0 111.781 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -59.28 -29.87 67.9 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.968 1.469 . . . . 0.0 114.968 -166.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -73.86 -9.47 58.68 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.62 -6.98 44.92 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -138.66 165.17 27.62 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.021 1.728 . . . . 0.0 112.537 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -146.76 36.22 0.95 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.409 1.484 . . . . 0.0 112.281 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 53.73 51.21 15.41 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.395 1.878 . . . . 0.0 114.362 174.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -67.5 137.99 56.21 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.261 -0.899 . . . . 0.0 111.963 168.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -157.99 160.9 37.99 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.113 1.765 . . . . 0.0 111.244 172.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 -74.79 -24.07 58.6 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.921 1.288 . . . . 0.0 113.761 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.97 161.77 23.48 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.668 1.987 . . . . 0.0 112.114 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -75.54 165.2 25.46 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 130.1 3.36 . . . . 0.0 114.915 2.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 61.93 -1.22 0.38 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 169.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -52.74 -53.52 46.74 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.07 1.305 . . . . 0.0 110.818 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -59.78 -32.24 70.42 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.531 1.532 . . . . 0.0 115.078 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -76.73 -47.28 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.153 0.888 . . . . 0.0 111.485 -174.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -66.3 -42.95 87.59 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.935 -0.478 . . . . 0.0 111.043 173.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tt -53.82 -49.24 68.81 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.5 1.52 . . . . 0.0 111.583 174.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -58.98 -48.08 82.82 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.821 0.849 . . . . 0.0 112.26 -177.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.89 -49.24 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 123.61 0.764 . . . . 0.0 111.219 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -65.7 -38.24 88.67 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.631 -0.668 . . . . 0.0 112.514 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.9 -33.57 72.36 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -63.24 -48.75 76.91 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.766 0.826 . . . . 0.0 111.173 168.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -65.74 -36.01 82.37 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.62 -18.18 45.6 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 177.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 50.13 62.61 2.58 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.693 1.597 . . . . 0.0 111.813 -164.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.9 mm -67.61 171.61 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 155.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.7 m -82.59 106.24 6.35 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 125.752 1.621 . . . . 0.0 113.693 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.72 -30.24 9.75 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.346 2.698 . . . . 0.0 114.284 174.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -63.66 -28.39 69.87 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.679 -0.638 . . . . 0.0 112.235 -173.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.46 -40.59 91.77 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.71 1.204 . . . . 0.0 112.46 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mp -74.84 -46.43 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 123.32 0.648 . . . . 0.0 110.116 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 ttp85 -55.43 -49.65 71.86 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 118.689 0.677 . . . . 0.0 112.597 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -65.82 -38.06 87.92 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.34 0.973 . . . . 0.0 112.753 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.43 -49.29 67.23 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.05 0.94 . . . . 0.0 110.437 176.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.2 -48.68 73.49 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.756 1.222 . . . . 0.0 112.715 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.01 -30.98 71.61 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.6 tp -71.59 -47.95 51.43 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.763 0.71 . . . . 0.0 111.582 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -84.65 53.22 2.61 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.909 1.284 . . . . 0.0 112.709 -165.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -73.18 59.93 0.56 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.747 2.019 . . . . 0.0 111.427 175.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -69.39 160.14 31.88 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 128.431 2.692 . . . . 0.0 113.946 -172.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t -154.23 159.76 41.49 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.799 1.64 . . . . 0.0 111.231 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.6 -26.01 66.89 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.275 1.03 . . . . 0.0 113.553 177.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -156.34 156.38 30.12 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.44 1.496 . . . . 0.0 111.443 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -68.31 166.19 26.2 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.242 2.628 . . . . 0.0 112.126 169.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.35 150.35 50.81 Favored Glycine 0 CA--C 1.544 1.849 0 O-C-N 121.647 -0.658 . . . . 0.0 113.069 173.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -70.09 139.55 39.36 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.422 2.748 . . . . 0.0 112.618 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 59.22 166.74 0.06 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 127.447 2.299 . . . . 0.0 116.006 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.83 144.61 43.38 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.222 -0.924 . . . . 0.0 111.984 173.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -74.05 135.29 43.03 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.347 1.059 . . . . 0.0 111.374 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.9 p -74.59 48.52 0.36 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.591 1.956 . . . . 0.0 112.951 173.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -72.25 -15.89 61.92 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.223 1.809 . . . . 0.0 114.754 -170.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.9 t -153.83 158.97 41.63 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.912 1.285 . . . . 0.0 111.939 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.0 p -74.77 150.66 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.012 1.325 . . . . 0.0 111.954 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -65.44 150.66 95.6 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 123.675 0.79 . . . . 0.0 112.311 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -70.86 149.47 59.94 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.181 2.587 . . . . 0.0 112.232 173.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.417 1.887 . . . . 0.0 111.609 177.518 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -70.11 159.35 34.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.635 1.174 . . . . 0.0 112.903 176.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -155.29 154.23 31.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.968 1.307 . . . . 0.0 112.636 -176.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 97.0 mtp -64.38 -12.56 43.91 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.944 1.298 . . . . 0.0 114.435 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.36 -17.18 64.62 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 170.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -78.51 -1.32 33.28 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.3 ptp -149.22 164.21 35.43 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.267 1.427 . . . . 0.0 112.316 -169.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -72.94 142.19 47.83 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.821 0.849 . . . . 0.0 110.983 170.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -125.23 10.61 8.08 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.062 1.345 . . . . 0.0 113.696 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.01 163.77 27.29 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.961 1.304 . . . . 0.0 113.209 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -148.26 166.6 27.49 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.895 1.678 . . . . 0.0 112.253 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -73.03 122.8 22.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 122.777 0.431 . . . . 0.0 110.415 164.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -77.64 -17.08 58.1 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -149.37 126.73 11.48 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.658 1.983 . . . . 0.0 109.436 173.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -78.15 136.95 37.94 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.076 0.55 . . . . 0.0 112.286 -171.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -77.04 126.57 31.18 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.602 0.761 . . . . 0.0 112.217 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 55.1 tp 58.97 -50.99 0.06 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 129.608 3.163 . . . . 0.0 117.262 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -69.75 152.37 44.71 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.485 1.114 . . . . 0.0 112.837 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 59.05 -27.39 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.893 2.877 . . . . 0.0 116.024 -172.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -53.47 -44.03 68.62 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.204 1.365 . . . . 0.0 111.42 174.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -63.58 -29.62 70.85 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.622 1.169 . . . . 0.0 113.97 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.2 t -77.54 -45.62 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.921 0.782 . . . . 0.0 110.778 171.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -63.71 -38.33 90.72 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.382 1.473 . . . . 0.0 112.887 -176.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 pp -69.86 -47.69 61.68 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.913 -0.492 . . . . 0.0 110.842 170.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -66.85 -41.15 87.85 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.031 0.832 . . . . 0.0 113.035 -168.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.52 -33.73 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -91.06 -41.31 11.14 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.987 0.915 . . . . 0.0 113.094 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -28.92 70.4 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.554 1.142 . . . . 0.0 113.718 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -65.61 -33.53 76.12 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.056 1.342 . . . . 0.0 113.078 171.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -80.7 -39.24 27.49 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.44 0.696 . . . . 0.0 112.097 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.51 -14.3 57.1 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 58.33 51.72 8.04 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.437 1.895 . . . . 0.0 114.021 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 37.7 mm -76.27 67.3 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.621 1.168 . . . . 0.0 111.787 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 25.1 m 47.61 59.91 15.96 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -61.14 -22.94 76.21 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.069 2.513 . . . . 0.0 113.356 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -56.58 -34.3 67.02 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.515 -0.74 . . . . 0.0 111.998 173.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.59 -43.83 96.94 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.232 0.924 . . . . 0.0 111.871 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.409 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.4 mp -73.72 -43.08 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 123.302 0.641 . . . . 0.0 110.185 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 50.8 ttp85 -61.59 -44.79 96.36 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -68.61 -33.75 74.57 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.976 1.262 . . . . 0.0 112.531 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -49.65 75.2 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.497 0.719 . . . . 0.0 110.594 169.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 50.1 mt -53.54 -45.8 69.95 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 120.259 1.391 . . . . 0.0 113.177 172.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.23 -24.75 66.66 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.575 1.15 . . . . 0.0 113.969 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 84.3 mt -85.32 -37.46 19.92 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.362 1.065 . . . . 0.0 112.55 169.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -65.83 -39.07 90.48 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.838 1.655 . . . . 0.0 113.367 -176.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? 50.36 40.52 22.91 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.484 1.514 . . . . 0.0 114.616 168.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 168.91 3.21 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.811 1.644 . . . . 0.0 114.265 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -148.1 162.33 39.62 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.846 1.659 . . . . 0.0 111.014 174.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.28 142.58 58.33 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.193 0.997 . . . . 0.0 112.794 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -69.56 134.17 88.65 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 123.738 0.815 . . . . 0.0 111.311 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.55 152.67 70.42 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 123.145 2.563 . . . . 0.0 113.089 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.47 164.41 29.93 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.587 1.089 . . . . 0.0 113.158 176.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -67.17 -20.56 49.63 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.704 2.936 . . . . 0.0 114.004 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.34 -18.99 60.62 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 176.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.75 137.4 43.94 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.701 0.8 . . . . 0.0 112.287 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -155.81 157.87 37.17 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.319 1.447 . . . . 0.0 111.608 178.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.8 t -69.43 177.25 2.96 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.173 0.989 . . . . 0.0 112.262 171.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -66.5 -32.16 73.34 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.195 -0.94 . . . . 0.0 112.1 170.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 5.4 t -77.51 157.79 30.23 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.964 1.306 . . . . 0.0 111.358 165.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.22 -21.78 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.28 1.032 . . . . 0.0 112.747 171.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -63.57 145.33 97.42 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 124.36 1.064 . . . . 0.0 111.626 175.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -63.84 167.54 13.62 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 122.55 2.167 . . . . 0.0 112.262 167.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.074 1.35 . . . . 0.0 113.342 179.026 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -72.58 -16.95 61.74 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 -172.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 67.2 m80 54.75 29.81 12.44 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.628 1.571 . . . . 0.0 114.192 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 54.5 tpp -69.38 145.25 53.05 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.713 1.205 . . . . 0.0 111.98 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.83 153.17 37.72 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.888 1.275 . . . . 0.0 112.285 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -81.82 -1.68 48.31 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.592 1.557 . . . . 0.0 114.564 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 76.8 mtm -63.04 141.02 58.92 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.899 1.279 . . . . 0.0 113.104 -175.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -71.92 144.18 49.05 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.067 1.347 . . . . 0.0 111.757 177.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -69.91 156.5 38.99 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.258 1.023 . . . . 0.0 112.766 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.46 155.95 41.22 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.293 1.437 . . . . 0.0 111.972 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -68.79 140.58 55.3 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.545 1.138 . . . . 0.0 112.445 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -68.75 161.73 27.73 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.347 1.459 . . . . 0.0 112.364 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.1 mp0 -71.57 13.98 0.22 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.126 1.77 . . . . 0.0 113.781 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -69.01 -31.6 70.54 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.4 1.48 . . . . 0.0 112.03 174.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 50.32 36.5 13.03 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.271 1.429 . . . . 0.0 112.458 -170.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -60.97 139.52 58.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.236 1.414 . . . . 0.0 111.955 -175.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -148.85 151.48 34.8 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.618 1.567 . . . . 0.0 110.56 -176.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -162.61 -58.63 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.986 1.315 . . . . 0.0 112.261 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -69.76 -32.72 71.39 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -167.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.59 -42.3 98.29 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.609 1.095 . . . . 0.0 110.645 171.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -69.05 -37.84 78.78 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.925 1.29 . . . . 0.0 113.722 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.1 m -73.89 -33.21 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-N 119.809 1.186 . . . . 0.0 112.579 172.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -67.57 -48.6 66.43 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.677 0.671 . . . . 0.0 111.583 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.16 -36.21 82.5 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 118.021 -0.99 . . . . 0.0 111.999 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -33.79 76.82 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.482 1.492 . . . . 0.0 113.435 -171.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.1 t -74.67 -47.75 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.884 0.873 . . . . 0.0 110.715 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -67.53 -36.45 81.04 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.523 -0.736 . . . . 0.0 112.369 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.97 -31.55 68.14 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.416 1.087 . . . . 0.0 113.61 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -63.0 -48.93 76.69 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.314 1.046 . . . . 0.0 111.071 169.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -71.95 -35.9 69.72 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.62 -4.41 56.05 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.509 1.123 . . . . 0.0 113.418 172.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 47.68 56.19 7.44 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 127.118 2.167 . . . . 0.0 113.414 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.7 mm -72.2 173.39 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.943 1.297 . . . . 0.0 110.096 170.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.0 m -78.47 107.34 5.56 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 124.998 1.319 . . . . 0.0 113.225 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.09 -25.8 22.15 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.658 2.239 . . . . 0.0 112.654 166.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -58.09 -33.28 68.91 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.759 0.824 . . . . 0.0 112.104 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -57.07 -39.06 74.22 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.591 1.157 . . . . 0.0 112.428 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.449 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.0 mp -81.52 -45.38 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 125.098 1.359 . . . . 0.0 109.974 176.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -58.52 -39.87 81.32 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.635 1.174 . . . . 0.0 113.358 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -74.66 -38.12 62.52 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.466 1.106 . . . . 0.0 112.679 174.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -67.49 -36.33 80.89 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.952 1.301 . . . . 0.0 110.702 -177.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.7 mt -54.64 -25.65 28.07 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 170.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.3 mt -81.15 -36.84 29.73 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.42 1.009 . . . . 0.0 112.676 174.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.8 tp -80.43 -32.66 37.32 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.97 1.708 . . . . 0.0 113.686 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -65.07 118.54 9.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.38 1.072 . . . . 0.0 113.657 -161.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -117.02 18.78 14.55 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.316 1.846 . . . . 0.0 113.563 173.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.65 156.68 32.13 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.449 1.1 . . . . 0.0 112.267 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.7 t -71.09 133.76 46.5 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.443 0.697 . . . . 0.0 112.559 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -165.55 148.11 7.68 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.496 2.318 . . . . 0.0 109.396 170.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -144.18 144.38 25.79 Favored Pre-proline 0 CA--C 1.545 0.75 0 C-N-CA 124.057 0.943 . . . . 0.0 111.701 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.79 -26.22 16.12 Favored 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 123.136 2.558 . . . . 0.0 113.504 175.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.91 -122.22 23.69 Favored Glycine 0 CA--C 1.539 1.592 0 CA-C-O 118.638 -1.09 . . . . 0.0 110.864 -173.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -73.64 -11.3 24.12 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 123.534 2.823 . . . . 0.0 114.301 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.2 -17.18 63.15 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -173.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.12 -4.76 10.02 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -174.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -152.29 147.42 26.33 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.759 1.224 . . . . 0.0 111.7 -175.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.3 m -58.92 -26.72 64.6 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.306 1.442 . . . . 0.0 114.34 -175.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -122.87 144.84 48.94 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.207 1.403 . . . . 0.0 109.093 158.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.8 t -53.35 144.61 16.06 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -173.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.0 m -75.98 -5.41 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.995 0.918 . . . . 0.0 113.243 170.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -132.07 77.18 71.99 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 125.742 1.617 . . . . 0.0 110.767 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -60.41 147.22 94.85 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.645 2.897 . . . . 0.0 114.667 -175.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 37.8 p90 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 125.601 1.561 . . . . 0.0 113.223 174.005 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -153.65 160.28 42.33 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.949 1.3 . . . . 0.0 112.145 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -73.36 -23.45 60.2 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 55.8 ttm -155.22 122.07 5.41 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.786 1.634 . . . . 0.0 110.264 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.7 -35.06 70.11 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 44.3 t -159.22 145.85 16.79 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.415 1.486 . . . . 0.0 111.547 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 95.2 mtp -77.95 -10.81 59.77 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.59 1.156 . . . . 0.0 113.434 174.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -65.72 146.39 54.85 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.743 1.217 . . . . 0.0 112.368 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -65.17 159.16 24.15 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.584 1.154 . . . . 0.0 112.345 171.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.1 154.94 40.0 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.278 1.031 . . . . 0.0 112.902 176.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -62.01 132.6 53.46 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.199 1.0 . . . . 0.0 111.921 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -87.09 176.26 7.7 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.079 1.352 . . . . 0.0 112.507 177.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -71.24 -3.86 22.63 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.179 1.392 . . . . 0.0 114.683 -175.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -78.02 59.26 2.13 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.866 1.666 . . . . 0.0 112.604 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -62.76 149.64 43.44 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.575 1.15 . . . . 0.0 113.423 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -70.15 154.51 41.84 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.301 1.84 . . . . 0.0 114.506 -171.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.75 -25.47 68.21 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.557 1.543 . . . . 0.0 112.893 174.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -55.18 -45.25 75.76 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.389 1.476 . . . . 0.0 113.212 -169.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -74.1 -32.66 63.32 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.332 0.653 . . . . 0.0 112.689 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -62.18 -43.18 99.4 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.742 0.701 . . . . 0.0 110.937 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -64.86 -30.83 71.84 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 86.0 t -73.07 -47.77 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 119.039 0.836 . . . . 0.0 111.06 168.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -62.13 -43.86 97.9 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.918 0.887 . . . . 0.0 112.854 -174.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.27 -39.48 86.06 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.109 0.564 . . . . 0.0 111.685 174.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -63.16 -46.26 87.97 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.782 0.833 . . . . 0.0 111.637 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 44.3 t -58.07 -39.56 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.037 0.935 . . . . 0.0 111.783 -177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -85.44 -43.49 13.57 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.69 -31.57 70.82 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 pttm -70.16 -30.05 67.1 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -81.91 -41.04 21.46 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.241 1.016 . . . . 0.0 111.752 171.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.64 -14.77 57.88 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.106 1.363 . . . . 0.0 113.795 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 60.0 t30 60.88 51.55 4.63 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.28 1.432 . . . . 0.0 113.29 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 41.9 mm -68.66 161.4 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 156.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.5 m -74.24 111.42 12.62 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.348 1.459 . . . . 0.0 113.449 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.91 -23.72 12.08 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.108 2.538 . . . . 0.0 113.219 169.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -60.53 -32.68 71.71 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.659 0.784 . . . . 0.0 112.039 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -58.21 -40.65 82.17 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.756 1.222 . . . . 0.0 112.103 174.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mp -78.33 -45.8 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 123.748 0.819 . . . . 0.0 110.408 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -59.53 -41.24 89.56 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -68.97 -39.2 79.57 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.472 1.033 . . . . 0.0 112.375 175.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -47.07 74.24 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.405 1.082 . . . . 0.0 111.132 -178.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.65 -28.16 68.9 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.5 -1.375 . . . . 0.0 113.659 174.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.4 tp -71.4 -43.98 65.78 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.401 0.68 . . . . 0.0 112.077 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.68 -21.74 32.3 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -116.51 35.24 4.65 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.107 1.363 . . . . 0.0 114.018 -171.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -57.22 126.62 28.04 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 163.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -144.82 167.28 22.98 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.152 0.981 . . . . 0.0 113.479 -160.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m 59.99 -179.42 0.09 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.53 1.932 . . . . 0.0 115.004 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.42 162.29 35.86 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.966 1.707 . . . . 0.0 111.58 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -64.94 137.17 97.06 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 124.114 0.966 . . . . 0.0 111.945 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -68.2 167.27 22.48 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.72 2.947 . . . . 0.0 113.136 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.5 -160.01 9.9 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.315 0.959 . . . . 0.0 113.402 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -67.12 156.34 66.76 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.84 2.36 . . . . 0.0 111.761 172.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.59 154.64 38.17 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.73 -0.606 . . . . 0.0 112.05 172.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.08 176.81 10.79 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.164 1.385 . . . . 0.0 112.307 -172.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -74.08 66.39 1.22 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.837 1.655 . . . . 0.0 111.913 175.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 29.0 t -150.31 149.96 30.83 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.066 1.747 . . . . 0.0 111.85 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -75.51 -29.65 59.56 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.316 1.046 . . . . 0.0 113.049 174.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 67.2 p -103.8 -9.83 18.73 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -169.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.27 145.55 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.996 0.919 . . . . 0.0 111.881 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -69.61 150.83 96.75 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 123.448 0.699 . . . . 0.0 112.568 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.01 164.28 36.31 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.273 2.649 . . . . 0.0 111.606 165.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 . . . . . 0 C--O 1.254 1.326 0 C-N-CA 124.547 1.139 . . . . 0.0 112.911 173.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -66.05 154.0 40.71 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.681 1.192 . . . . 0.0 113.186 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -68.78 164.24 22.27 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.137 0.975 . . . . 0.0 112.53 173.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 50.4 tpp -62.6 149.08 44.25 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.071 0.948 . . . . 0.0 111.568 172.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.15 -21.3 64.93 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -75.66 -19.86 58.87 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.108 1.363 . . . . 0.0 114.144 174.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.8 tpp -84.67 144.01 28.84 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.841 1.256 . . . . 0.0 111.878 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -73.34 140.98 47.07 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.733 1.213 . . . . 0.0 111.755 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -68.0 143.88 55.39 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.019 0.928 . . . . 0.0 112.408 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.21 173.59 0.07 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.158 2.183 . . . . 0.0 115.238 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.38 135.65 54.63 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.221 1.008 . . . . 0.0 111.496 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -78.06 150.48 33.77 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.167 0.987 . . . . 0.0 112.267 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -75.3 -0.8 20.91 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.438 1.095 . . . . 0.0 113.686 174.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -75.05 55.98 0.75 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.692 1.997 . . . . 0.0 112.235 175.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -63.37 154.28 32.42 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.008 1.323 . . . . 0.0 113.187 -176.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -146.79 146.89 30.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.21 1.404 . . . . 0.0 111.396 -177.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -149.56 150.63 32.55 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.528 1.531 . . . . 0.0 111.03 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.423 ' HA ' ' HE3' ' B' ' 29' ' ' LYS . 49.5 t0 -146.22 -76.09 0.2 Allowed 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 176.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -91.87 -11.59 35.97 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -165.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.7 -49.44 77.72 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.67 1.123 . . . . 0.0 110.166 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -60.85 -38.47 85.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.195 1.398 . . . . 0.0 114.153 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.6 p -76.11 -40.58 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.174 0.897 . . . . 0.0 112.766 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -71.53 -31.69 67.32 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.949 0.795 . . . . 0.0 111.919 175.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 tt -61.89 -55.19 32.31 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.942 1.697 . . . . 0.0 111.564 170.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -32.08 73.55 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -168.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.17 -31.65 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -89.72 -31.01 17.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.186 0.903 . . . . 0.0 112.94 172.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.25 -28.24 68.57 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.233 -0.917 . . . . 0.0 113.27 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -69.66 -34.03 73.41 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 168.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -73.73 -41.37 62.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.513 0.725 . . . . 0.0 111.249 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.82 -13.93 57.01 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.7 1.2 . . . . 0.0 114.23 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.5 t30 54.5 55.04 8.49 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.878 2.471 . . . . 0.0 114.24 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.1 mm -81.2 62.98 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.676 1.19 . . . . 0.0 112.522 -175.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 m 48.19 59.74 16.39 Favored Pre-proline 0 CA--C 1.551 1.019 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 167.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -57.15 -24.31 57.97 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.786 2.991 . . . . 0.0 114.182 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -56.49 -33.87 66.39 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.543 0.737 . . . . 0.0 111.947 175.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -60.6 -45.27 94.62 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.108 0.963 . . . . 0.0 111.913 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.422 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.3 mp -71.83 -43.97 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 123.256 0.622 . . . . 0.0 109.913 178.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -54.74 -49.99 69.46 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.838 0.855 . . . . 0.0 112.119 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -74.44 -37.52 63.27 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.28 -38.06 86.9 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.738 -0.649 . . . . 0.0 111.582 174.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.27 -40.38 70.94 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.298 1.408 . . . . 0.0 113.143 175.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.15 -32.36 72.56 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 174.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.0 tp -81.22 -34.18 32.39 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.089 1.356 . . . . 0.0 113.523 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -66.25 109.87 2.82 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.582 1.553 . . . . 0.0 112.619 -162.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -79.13 -6.84 57.45 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -169.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -55.93 -39.66 72.0 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.369 1.068 . . . . 0.0 113.428 -175.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.3 m -90.57 117.52 29.3 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.318 1.047 . . . . 0.0 111.092 171.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.06 138.16 43.82 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.578 0.751 . . . . 0.0 111.645 173.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -77.5 136.45 64.13 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 123.66 0.784 . . . . 0.0 111.12 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -66.98 158.0 58.93 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.158 2.572 . . . . 0.0 112.718 175.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.25 171.23 37.69 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 123.958 0.789 . . . . 0.0 114.208 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -71.06 165.81 31.19 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 124.143 3.229 . . . . 0.0 112.877 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.4 145.27 31.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.286 1.434 . . . . 0.0 111.793 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.17 137.96 53.75 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.868 0.867 . . . . 0.0 112.463 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -82.38 155.66 24.6 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.043 1.337 . . . . 0.0 111.567 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -153.36 153.17 32.06 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.321 1.448 . . . . 0.0 111.623 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -152.61 150.01 29.06 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.615 1.566 . . . . 0.0 111.643 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.0 t -153.86 160.7 42.28 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.357 1.463 . . . . 0.0 111.386 173.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.14 153.9 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.87 1.268 . . . . 0.0 112.891 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -66.68 146.3 99.05 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 123.866 0.867 . . . . 0.0 111.584 175.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -63.01 -17.94 62.71 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.166 2.577 . . . . 0.0 115.539 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 C--O 1.254 1.335 0 C-N-CA 126.536 1.934 . . . . 0.0 112.144 -179.375 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p -153.8 164.23 38.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.08 1.352 . . . . 0.0 111.748 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.25 128.41 33.9 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.47 0.708 . . . . 0.0 111.981 175.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 64.1 mtm 54.03 19.2 1.96 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.349 1.459 . . . . 0.0 114.56 -175.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 51.95 32.06 9.46 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.923 1.689 . . . . 0.0 113.724 -167.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -69.06 -31.71 70.66 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -170.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 26.2 mmt -73.79 145.9 44.66 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.734 0.814 . . . . 0.0 111.982 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -60.45 -24.42 65.21 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -174.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -71.4 -31.69 67.56 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.303 1.041 . . . . 0.0 113.165 173.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.12 -32.47 16.65 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.792 1.237 . . . . 0.0 112.974 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -61.56 153.76 26.73 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.989 1.715 . . . . 0.0 112.084 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -132.04 148.41 52.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.872 1.269 . . . . 0.0 110.988 164.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -93.17 13.65 20.44 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.831 1.252 . . . . 0.0 113.822 -175.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -143.5 151.62 40.49 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.854 1.262 . . . . 0.0 112.966 -171.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -156.37 164.24 38.52 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.622 1.969 . . . . 0.0 110.337 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.62 154.47 40.74 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -172.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.15 -35.28 62.07 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.933 1.693 . . . . 0.0 111.941 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -55.68 -35.59 66.17 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.83 1.652 . . . . 0.0 113.267 174.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -91.73 -27.11 18.26 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.97 1.308 . . . . 0.0 113.175 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -54.03 -48.69 70.24 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.738 1.153 . . . . 0.0 110.776 171.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -66.1 -26.11 67.31 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -77.75 -48.18 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.204 0.911 . . . . 0.0 110.896 171.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -68.82 -35.78 77.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.846 0.858 . . . . 0.0 112.654 -174.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.02 -43.19 83.45 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.573 0.624 . . . . 0.0 110.939 169.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 19.2 tmm? -64.95 -48.52 73.79 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.192 0.906 . . . . 0.0 112.378 -171.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.1 p -61.67 -34.48 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -80.17 -43.85 20.87 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.612 0.765 . . . . 0.0 112.557 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.28 75.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.891 1.276 . . . . 0.0 113.733 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 18' ' ' ASP . 74.0 tttt -68.33 -41.01 81.39 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.336 1.454 . . . . 0.0 112.938 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -74.08 -42.41 60.19 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.291 0.636 . . . . 0.0 112.149 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.95 -9.58 59.82 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 55.93 62.96 2.18 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.605 1.562 . . . . 0.0 113.202 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 37.5 mm -69.67 164.88 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.288 154.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.1 m -75.63 111.37 14.06 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.7 1.6 . . . . 0.0 113.1 174.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -76.43 -27.15 8.04 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.984 2.456 . . . . 0.0 112.363 167.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -59.91 -35.29 74.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.629 1.172 . . . . 0.0 113.397 -170.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -60.66 -40.66 92.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.157 0.983 . . . . 0.0 112.215 175.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 mp -77.75 -45.66 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.073 0.949 . . . . 0.0 110.717 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -56.59 -47.13 80.22 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.03 1.332 . . . . 0.0 112.336 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -68.46 -37.53 80.27 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -54.15 36.7 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.383 1.073 . . . . 0.0 110.88 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 pp -63.62 -35.87 81.94 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.092 1.315 . . . . 0.0 113.292 -178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.91 -33.24 71.92 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.305 0.642 . . . . 0.0 112.699 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.1 tp -76.41 -46.5 26.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.078 0.951 . . . . 0.0 111.763 174.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -81.81 -24.44 35.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.291 1.436 . . . . 0.0 114.24 -170.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 62.1 mttp 57.64 20.48 6.34 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.458 1.903 . . . . 0.0 115.668 170.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -71.2 -14.45 62.26 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.025 1.73 . . . . 0.0 113.172 165.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.7 p -55.06 173.13 0.1 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.398 2.279 . . . . 0.0 112.914 163.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.43 146.7 28.57 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -171.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 54.87 65.61 4.79 Favored Pre-proline 0 CA--C 1.556 1.201 0 C-N-CA 126.6 1.96 . . . . 0.0 114.182 -177.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -67.91 167.28 21.91 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 C-N-CA 123.627 2.885 . . . . 0.0 112.691 173.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.36 157.98 53.37 Favored Glycine 0 CA--C 1.545 1.948 0 C-N-CA 124.081 0.848 . . . . 0.0 114.328 176.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.0 129.27 15.02 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.762 2.975 . . . . 0.0 112.92 -175.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.95 -19.94 58.35 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.52 -1.53 27.79 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -176.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -63.93 153.76 36.0 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.321 1.449 . . . . 0.0 113.712 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.8 t 62.03 169.52 0.12 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.79 2.036 . . . . 0.0 114.92 -175.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -73.11 142.15 47.52 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.951 1.3 . . . . 0.0 112.713 -177.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 38.0 p -79.7 151.22 30.59 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.838 1.255 . . . . 0.0 112.492 174.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 10.4 p -69.12 149.16 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.222 1.009 . . . . 0.0 111.598 171.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -146.88 142.21 16.88 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.172 1.389 . . . . 0.0 110.542 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.52 154.94 70.66 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 122.86 2.373 . . . . 0.0 112.08 170.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.174 1.79 . . . . 0.0 111.595 176.771 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t -153.56 154.11 33.66 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.139 1.375 . . . . 0.0 111.733 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 51.81 51.16 17.13 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.197 1.799 . . . . 0.0 113.501 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.6 tpt -62.76 126.93 28.98 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.205 -0.935 . . . . 0.0 111.065 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.59 -177.21 0.05 Allowed 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.417 1.887 . . . . 0.0 114.711 -174.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.2 p -156.26 159.71 39.13 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.891 1.677 . . . . 0.0 111.374 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 61.1 mtm -72.5 138.5 47.04 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.622 -0.673 . . . . 0.0 112.251 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -76.68 -21.13 55.8 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.937 0.895 . . . . 0.0 112.394 160.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -67.53 160.97 26.57 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.092 1.757 . . . . 0.0 112.526 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.16 165.96 6.63 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.978 0.911 . . . . 0.0 112.742 165.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -55.74 148.46 16.44 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.148 1.779 . . . . 0.0 113.44 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -58.48 154.39 14.07 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.789 1.236 . . . . 0.0 113.382 173.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -84.54 31.86 0.52 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.809 1.244 . . . . 0.0 113.305 -175.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -84.6 65.88 9.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.463 1.505 . . . . 0.0 110.133 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -58.45 139.77 54.98 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -170.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -148.85 138.45 21.9 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.39 1.876 . . . . 0.0 109.213 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tt -149.16 136.28 19.92 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -162.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -85.94 47.42 1.45 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.74 2.016 . . . . 0.0 114.34 -169.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 59.15 18.02 6.11 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -52.04 -40.85 61.73 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 120.618 -1.301 . . . . 0.0 111.332 169.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -61.1 -27.52 68.43 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.704 1.601 . . . . 0.0 114.326 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.9 t -84.71 -43.83 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.7 0.8 . . . . 0.0 110.724 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -60.2 -39.84 87.96 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.455 0.702 . . . . 0.0 112.403 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.67 -45.7 67.75 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.61 -0.709 . . . . 0.0 111.793 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -34.0 76.02 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.888 1.222 . . . . 0.0 113.021 -169.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.19 -39.33 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 123.881 0.872 . . . . 0.0 111.61 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -87.7 -34.02 18.54 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.01 70.84 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -173.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -68.85 -33.22 73.45 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 171.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -81.12 -42.88 20.25 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.528 1.131 . . . . 0.0 111.771 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.25 -0.98 43.14 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.356 1.462 . . . . 0.0 113.352 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 48.95 56.37 7.85 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 128.049 2.539 . . . . 0.0 114.452 175.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.4 mm -73.98 161.29 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 124.382 1.073 . . . . 0.0 109.57 162.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 m -74.46 113.05 20.19 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 125.247 1.419 . . . . 0.0 113.021 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.44 -24.7 18.93 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.868 2.379 . . . . 0.0 112.344 165.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -59.51 -37.57 78.65 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.683 0.793 . . . . 0.0 112.35 -171.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -55.38 -45.65 76.57 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.407 1.083 . . . . 0.0 111.907 176.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.461 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.2 mp -74.68 -48.09 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 123.826 0.85 . . . . 0.0 109.89 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -57.18 -39.64 75.74 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.776 0.83 . . . . 0.0 112.786 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -79.9 -39.05 31.26 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.36 1.064 . . . . 0.0 113.354 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.05 -39.14 86.86 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.35 0.523 . . . . 0.0 111.628 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 tp -54.71 -42.68 71.81 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.64 1.576 . . . . 0.0 112.678 172.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.05 -30.58 71.13 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.839 1.255 . . . . 0.0 113.111 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.3 tp -77.89 -45.59 23.73 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.959 0.903 . . . . 0.0 112.048 169.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -66.17 -50.81 62.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.774 1.629 . . . . 0.0 113.167 -165.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt 52.83 19.85 1.43 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 171.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -68.28 166.38 16.58 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.608 1.163 . . . . 0.0 112.078 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 t -154.37 148.47 25.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.121 1.769 . . . . 0.0 109.623 167.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.43 128.53 36.16 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.484 0.714 . . . . 0.0 112.085 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -154.0 149.26 20.44 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.047 0.939 . . . . 0.0 112.692 -176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -69.41 151.44 71.04 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.881 2.388 . . . . 0.0 111.97 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.65 145.64 1.11 Allowed Glycine 0 CA--C 1.547 2.039 0 C-N-CA 125.302 1.43 . . . . 0.0 113.888 -172.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.67 127.3 10.13 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 122.794 2.33 . . . . 0.0 110.834 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.26 -25.4 42.55 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.173 -0.954 . . . . 0.0 112.276 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.96 -16.0 64.06 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.815 1.246 . . . . 0.0 114.102 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -76.51 95.56 3.9 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.087 1.355 . . . . 0.0 111.195 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.5 m -65.02 129.89 41.37 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.393 0.677 . . . . 0.0 110.66 168.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -152.29 158.2 42.44 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.433 1.093 . . . . 0.0 112.255 -174.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.4 p -71.62 152.69 42.68 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.858 1.263 . . . . 0.0 112.748 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.18 161.22 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.799 1.64 . . . . 0.0 111.497 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -65.34 145.72 99.04 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 123.603 0.761 . . . . 0.0 112.425 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -74.22 -17.2 21.88 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 123.446 2.764 . . . . 0.0 114.035 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 83.1 t80 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 126.463 1.905 . . . . 0.0 111.44 -177.103 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t 65.24 144.36 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 127.324 2.249 . . . . 0.0 115.085 -172.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 26.0 m80 59.69 166.01 0.06 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.352 2.261 . . . . 0.0 115.106 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -71.08 136.08 48.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.599 1.16 . . . . 0.0 111.849 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.4 150.46 25.19 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.182 1.393 . . . . 0.0 111.875 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -78.77 156.71 28.7 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.659 1.184 . . . . 0.0 112.315 171.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 95.9 mtp -74.87 143.78 43.68 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.918 0.887 . . . . 0.0 111.837 175.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -69.53 138.48 53.33 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.31 1.044 . . . . 0.0 111.675 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -68.81 152.72 44.93 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.812 1.245 . . . . 0.0 113.484 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.78 168.05 20.76 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.119 0.968 . . . . 0.0 111.849 163.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -147.09 173.32 12.6 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.342 1.457 . . . . 0.0 112.301 173.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -67.8 170.69 7.58 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 122.45 1.119 . . . . 0.0 113.644 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 mp0 -60.57 139.49 57.77 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.514 1.125 . . . . 0.0 111.564 172.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -152.33 18.08 0.64 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.853 1.261 . . . . 0.0 112.72 -165.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -89.18 -14.89 35.03 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.675 1.59 . . . . 0.0 113.751 -170.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 mp0 -71.24 155.74 40.36 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.468 1.907 . . . . 0.0 113.297 -173.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.01 157.81 32.53 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.572 1.149 . . . . 0.0 114.071 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -150.77 -51.34 0.13 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.471 1.508 . . . . 0.0 112.181 172.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -72.02 -14.88 62.0 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.473 1.509 . . . . 0.0 114.422 -176.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -55.06 -46.17 75.36 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.18 0.9 . . . . 0.0 110.627 173.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -60.94 -26.44 67.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.579 1.552 . . . . 0.0 114.14 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -78.27 -48.4 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 123.831 0.853 . . . . 0.0 111.651 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -67.66 -33.3 74.67 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.636 0.653 . . . . 0.0 111.763 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.82 -49.3 73.39 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 126.1 1.76 . . . . 0.0 111.116 175.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -56.38 -53.05 61.91 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.197 0.999 . . . . 0.0 112.613 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.04 -37.45 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -170.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -77.22 -43.01 35.14 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.211 0.604 . . . . 0.0 112.564 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.44 71.58 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.286 0.948 . . . . 0.0 113.323 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -65.36 -51.88 57.49 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.789 1.236 . . . . 0.0 112.327 172.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -68.23 -41.46 81.17 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.217 0.607 . . . . 0.0 112.149 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.83 -2.39 50.81 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.792 1.237 . . . . 0.0 113.848 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 49.8 t30 48.7 63.1 2.24 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.794 1.637 . . . . 0.0 113.407 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 39.9 mm -75.72 166.77 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 C-N-CA 123.874 0.87 . . . . 0.0 108.852 156.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m -76.04 110.78 12.01 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.537 1.535 . . . . 0.0 113.619 175.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.02 -21.51 15.73 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.242 2.628 . . . . 0.0 112.752 166.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.25 -36.53 73.34 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.101 0.96 . . . . 0.0 111.771 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -56.19 -42.16 76.69 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.239 1.016 . . . . 0.0 112.187 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.426 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.2 mp -77.42 -48.48 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.55 1.14 . . . . 0.0 109.895 178.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -63.62 -32.83 74.42 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -78.87 -39.81 34.16 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.128 0.971 . . . . 0.0 112.796 173.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -66.81 -36.45 82.41 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.551 0.74 . . . . 0.0 111.772 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 63.4 tp -53.56 -28.14 30.13 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.301 1.84 . . . . 0.0 114.278 171.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.0 mt -69.46 -25.44 64.09 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.345 -0.847 . . . . 0.0 112.936 175.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 72.8 mt -108.45 -33.49 7.05 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.652 1.581 . . . . 0.0 113.131 -174.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -74.33 114.09 12.3 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.268 1.027 . . . . 0.0 112.062 -172.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -104.62 18.65 21.85 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.787 1.635 . . . . 0.0 113.312 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -68.52 147.51 51.89 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.963 1.705 . . . . 0.0 112.158 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 67.3 m -83.63 155.71 23.07 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.434 1.094 . . . . 0.0 111.92 171.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.78 -21.48 66.44 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 30.0 p80 -145.65 158.03 50.67 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 126.775 2.03 . . . . 0.0 109.996 174.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -68.37 166.18 26.34 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.746 2.297 . . . . 0.0 112.476 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.15 -179.69 52.61 Favored Glycine 0 CA--C 1.541 1.719 0 C-N-CA 124.962 1.268 . . . . 0.0 114.724 174.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -69.18 164.27 34.62 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 124.197 3.265 . . . . 0.0 112.963 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.35 152.81 42.91 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.226 1.01 . . . . 0.0 113.053 176.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.68 153.71 27.41 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.418 1.087 . . . . 0.0 113.279 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -79.11 49.69 0.97 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.0 1.72 . . . . 0.0 112.683 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.4 m -71.94 -19.36 61.92 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -172.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -68.66 144.72 54.37 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.084 0.954 . . . . 0.0 111.983 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 37.4 p -66.97 146.92 53.87 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.124 0.97 . . . . 0.0 112.358 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.0 13.15 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 125.74 1.616 . . . . 0.0 112.636 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -69.4 147.52 97.01 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 126.015 1.726 . . . . 0.0 112.865 -170.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -69.6 160.24 50.51 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.557 2.838 . . . . 0.0 112.892 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 83.7 t80 . . . . . 0 C--O 1.254 1.34 0 C-N-CA 125.214 1.406 . . . . 0.0 112.576 175.325 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 t -68.69 151.76 46.25 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.067 0.947 . . . . 0.0 112.942 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -75.79 -17.71 59.77 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.33 1.052 . . . . 0.0 113.247 171.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 76.2 mtm -74.37 157.71 35.22 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.285 1.034 . . . . 0.0 112.381 175.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.68 153.47 42.51 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.888 1.275 . . . . 0.0 112.348 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -62.53 -18.17 61.43 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -173.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 28.1 ptm -58.02 -23.2 53.22 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.07 1.348 . . . . 0.0 113.551 173.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -59.64 -29.83 68.3 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.09 1.356 . . . . 0.0 112.846 171.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -101.25 12.54 37.33 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.528 1.531 . . . . 0.0 113.575 -171.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.04 152.43 32.55 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.671 1.188 . . . . 0.0 113.806 -176.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -148.8 140.82 23.85 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.902 1.681 . . . . 0.0 111.807 -174.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -79.24 155.69 28.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.801 1.24 . . . . 0.0 112.695 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -65.7 -21.42 66.53 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.407 1.483 . . . . 0.0 114.089 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -78.7 78.54 5.15 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.296 -0.877 . . . . 0.0 108.92 160.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -62.14 142.65 57.49 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.743 0.817 . . . . 0.0 113.01 -171.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -80.14 40.88 0.5 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.375 1.47 . . . . 0.0 112.108 172.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.1 tp -66.37 137.78 57.13 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.879 1.672 . . . . 0.0 112.111 -174.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.412 ' HA ' ' HE3' ' B' ' 29' ' ' LYS . 27.9 t0 -126.02 -58.13 1.39 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 -173.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -128.44 6.6 5.77 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -165.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -60.54 -48.66 80.81 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.775 -1.203 . . . . 0.0 110.353 168.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -61.1 -39.3 89.44 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -176.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.08 -33.4 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.156 0.889 . . . . 0.0 112.733 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -70.53 -39.03 74.3 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.504 0.721 . . . . 0.0 111.473 171.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.42 -51.94 60.65 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.564 1.946 . . . . 0.0 112.078 176.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -35.37 80.55 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -165.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.64 -34.32 60.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 118.528 0.604 . . . . 0.0 112.624 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -81.33 -39.21 25.49 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.659 0.784 . . . . 0.0 111.802 174.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.24 -28.09 68.46 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.446 1.098 . . . . 0.0 113.127 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -59.18 -47.19 86.21 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.218 1.007 . . . . 0.0 112.046 165.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -73.22 -38.25 66.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.435 1.094 . . . . 0.0 113.09 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.12 -11.05 59.56 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.319 1.048 . . . . 0.0 113.238 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.64 42.74 16.7 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.684 2.393 . . . . 0.0 113.782 179.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.4 mm -76.27 70.19 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.322 1.049 . . . . 0.0 112.327 -176.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 m 46.63 59.8 15.49 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 161.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -56.88 -28.08 75.52 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.116 2.544 . . . . 0.0 113.224 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -58.76 -30.11 67.28 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.948 0.899 . . . . 0.0 113.012 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.41 -45.83 91.32 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.715 0.806 . . . . 0.0 111.297 174.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.421 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.2 mp -71.62 -39.5 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 O-C-N 121.792 -0.567 . . . . 0.0 109.945 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.74 -46.68 77.75 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 174.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -76.31 -34.29 59.04 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -41.03 99.32 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.517 0.727 . . . . 0.0 110.765 172.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.0 mt -54.68 -43.09 72.16 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.329 -1.482 . . . . 0.0 113.401 171.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.12 -33.74 76.1 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.811 0.844 . . . . 0.0 112.883 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 tp -76.27 -42.98 43.78 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.598 1.159 . . . . 0.0 112.81 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -65.73 -59.22 4.13 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.574 1.549 . . . . 0.0 113.511 -161.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt 50.83 27.81 3.32 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.986 1.714 . . . . 0.0 115.309 174.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -58.74 134.93 57.26 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.097 -1.002 . . . . 0.0 111.492 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.3 m 59.98 7.55 1.19 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.818 2.047 . . . . 0.0 116.446 -176.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.56 -12.49 51.48 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 120.983 -1.073 . . . . 0.0 113.717 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -65.67 137.49 96.33 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 124.906 1.282 . . . . 0.0 112.167 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -70.87 170.38 18.03 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.868 3.045 . . . . 0.0 113.605 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.39 -177.88 31.39 Favored Glycine 0 CA--C 1.546 1.982 0 C-N-CA 124.528 1.061 . . . . 0.0 114.609 174.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -58.17 147.65 82.56 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.142 3.228 . . . . 0.0 114.694 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.21 -10.49 59.45 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -145.88 160.11 42.27 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.609 1.564 . . . . 0.0 112.246 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.44 165.27 25.06 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.087 1.355 . . . . 0.0 111.9 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.9 t -56.84 -34.21 67.54 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.521 1.128 . . . . 0.0 112.796 177.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -128.52 130.6 47.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.562 1.545 . . . . 0.0 109.824 163.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -137.61 141.16 41.25 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.288 1.435 . . . . 0.0 110.426 -176.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.23 145.53 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.427 1.091 . . . . 0.0 112.457 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.06 -42.22 0.01 OUTLIER Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 125.246 1.419 . . . . 0.0 113.404 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -63.63 157.18 52.88 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.912 2.408 . . . . 0.0 114.053 176.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 . . . . . 0 C--O 1.255 1.37 0 C-N-CA 125.336 1.455 . . . . 0.0 113.159 177.13 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -66.14 -30.03 70.44 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -174.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 60.4 m80 53.14 30.92 10.49 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.305 1.442 . . . . 0.0 113.376 -169.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 24.3 ptp -60.98 141.67 57.14 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.954 0.902 . . . . 0.0 112.923 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.86 -25.41 56.16 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 177.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -157.87 154.26 27.68 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.107 1.763 . . . . 0.0 111.058 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 60.4 ttp -68.06 -20.15 64.94 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.569 1.147 . . . . 0.0 112.971 171.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -65.92 158.71 27.34 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.657 1.183 . . . . 0.0 113.223 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -63.34 128.69 36.99 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.037 0.935 . . . . 0.0 111.113 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.78 -16.87 60.7 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -65.44 127.44 31.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.214 1.006 . . . . 0.0 111.753 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -81.7 -16.65 50.57 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -171.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.04 7.8 3.77 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -175.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -74.49 48.57 0.35 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.406 1.482 . . . . 0.0 112.37 167.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -62.55 -35.36 79.2 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -168.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -137.43 5.57 2.72 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt -136.65 79.32 1.75 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.647 1.979 . . . . 0.0 108.655 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -69.32 88.36 0.45 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.936 1.294 . . . . 0.0 112.39 -174.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 61.17 9.26 2.37 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.239 1.816 . . . . 0.0 114.937 174.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -54.55 -55.71 26.49 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.409 1.083 . . . . 0.0 110.555 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -58.56 -31.42 67.97 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.722 1.209 . . . . 0.0 114.129 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.7 t -82.57 -36.74 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 118.808 0.731 . . . . 0.0 112.268 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.72 -41.46 75.29 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.476 -0.765 . . . . 0.0 111.206 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 tt -59.68 -49.22 78.58 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.232 1.813 . . . . 0.0 112.499 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -39.31 94.0 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.052 0.842 . . . . 0.0 113.038 -170.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 13.4 p -76.48 -37.73 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.337 0.655 . . . . 0.0 112.264 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.14 -42.16 84.85 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.336 -0.852 . . . . 0.0 111.528 173.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.55 -31.97 72.43 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.356 1.062 . . . . 0.0 113.327 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.412 ' HE3' ' HA ' ' A' ' 18' ' ' ASP . 79.0 tttt -63.66 -51.37 65.44 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.879 1.272 . . . . 0.0 111.815 167.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.79 -41.7 91.65 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.93 -9.14 59.45 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.101 1.36 . . . . 0.0 114.341 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 51.05 59.4 4.64 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.16 1.784 . . . . 0.0 113.564 -174.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.406 HG22 ' N ' ' B' ' 34' ' ' SER . 45.4 mm -69.89 168.7 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 123.507 0.723 . . . . 0.0 109.64 160.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' SER . . . . . 0.406 ' N ' HG22 ' B' ' 33' ' ' ILE . 44.8 m -74.8 110.84 10.9 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.886 1.674 . . . . 0.0 113.762 173.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -79.45 -22.97 7.68 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.354 2.702 . . . . 0.0 112.214 163.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -56.65 -42.33 78.74 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.841 1.656 . . . . 0.0 113.012 -173.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.05 -44.9 91.85 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.701 0.8 . . . . 0.0 111.639 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -70.9 -48.72 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 C-N-CA 123.542 0.737 . . . . 0.0 110.444 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -54.31 -47.66 72.21 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.263 0.625 . . . . 0.0 112.538 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -75.43 -37.23 60.53 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -65.73 -45.7 81.64 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 119.001 -0.524 . . . . 0.0 111.566 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.1 -40.84 74.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.381 1.072 . . . . 0.0 113.258 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.0 tp -62.54 -34.96 77.96 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.724 0.809 . . . . 0.0 112.681 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 90.2 mt -79.28 -48.34 14.3 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.105 0.962 . . . . 0.0 111.775 172.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -80.99 63.65 5.45 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.898 2.079 . . . . 0.0 111.955 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -62.32 -24.14 67.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.767 1.227 . . . . 0.0 113.316 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 21.5 tttt 60.84 -172.42 0.14 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.302 2.241 . . . . 0.0 114.44 169.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.5 m 58.3 33.03 22.76 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.876 1.67 . . . . 0.0 115.239 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.53 150.09 49.5 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.214 1.005 . . . . 0.0 112.762 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -69.53 137.07 88.35 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 123.983 0.913 . . . . 0.0 111.673 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -69.97 167.11 25.66 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.489 2.793 . . . . 0.0 112.97 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.54 175.09 53.46 Favored Glycine 0 CA--C 1.544 1.846 0 C-N-CA 123.919 0.771 . . . . 0.0 114.306 172.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -61.0 156.23 45.55 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.119 3.213 . . . . 0.0 114.122 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.31 141.82 21.7 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.932 1.293 . . . . 0.0 112.361 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.98 153.8 43.17 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.846 1.258 . . . . 0.0 112.636 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -157.53 160.58 38.34 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.206 1.402 . . . . 0.0 113.075 -172.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.9 t 53.71 -141.19 0.88 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.876 1.27 . . . . 0.0 111.791 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 33.0 p80 -68.29 -13.17 62.06 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.58 1.552 . . . . 0.0 114.355 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.6 m -77.73 119.74 21.67 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.166 -0.958 . . . . 0.0 110.869 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 11.1 p -156.5 151.37 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.709 1.604 . . . . 0.0 110.459 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -66.15 137.83 95.86 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 124.091 0.956 . . . . 0.0 111.86 175.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -74.0 -23.71 15.84 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.269 2.646 . . . . 0.0 113.633 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 . . . . . 0 C--O 1.251 1.177 0 C-N-CA 126.962 2.105 . . . . 0.0 111.504 -178.053 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.933 -0.467 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -154.21 163.7 39.71 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.21 1.404 . . . . 0.0 111.507 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -66.68 146.73 54.15 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.503 1.121 . . . . 0.0 112.826 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.0 tpt -69.72 142.1 53.37 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.218 1.007 . . . . 0.0 112.306 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.1 152.5 32.43 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.594 1.558 . . . . 0.0 111.543 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 m -66.82 141.95 57.51 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.194 0.998 . . . . 0.0 112.709 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 95.5 mtp -74.07 148.37 41.95 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.966 0.906 . . . . 0.0 112.373 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -74.04 156.62 37.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.772 1.229 . . . . 0.0 112.107 174.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -149.88 149.93 31.18 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.502 1.521 . . . . 0.0 111.457 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.41 159.35 44.53 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.212 1.405 . . . . 0.0 112.201 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -66.99 156.37 36.16 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.056 1.342 . . . . 0.0 113.144 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -83.65 -25.68 30.54 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.094 0.957 . . . . 0.0 112.662 170.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mp0 -71.36 131.21 43.07 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.348 1.059 . . . . 0.0 112.606 -175.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -86.43 18.57 3.19 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.068 1.347 . . . . 0.0 113.147 177.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -146.81 163.36 36.29 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.287 1.835 . . . . 0.0 111.691 -173.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -135.46 20.98 3.37 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.833 1.653 . . . . 0.0 111.577 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.41 143.21 57.86 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.509 1.524 . . . . 0.0 112.223 -174.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.6 p30 -146.47 -52.18 0.23 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.802 1.241 . . . . 0.0 114.064 -175.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -141.2 -8.73 1.0 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -162.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -51.83 -52.39 49.67 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.276 1.398 . . . . 0.0 110.897 176.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -56.56 -36.8 69.73 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.225 1.41 . . . . 0.0 114.637 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.9 m -82.95 -26.67 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.717 1.144 . . . . 0.0 113.727 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -74.57 -44.29 51.61 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.29 0.95 . . . . 0.0 110.804 166.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tt -57.13 -48.14 79.4 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 127.359 2.264 . . . . 0.0 112.29 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -65.05 -34.16 77.76 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.746 0.703 . . . . 0.0 112.862 -174.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.94 -43.86 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.278 1.031 . . . . 0.0 111.339 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -71.67 -42.4 67.52 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.95 -0.468 . . . . 0.0 111.909 175.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -40.1 90.47 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -176.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -67.4 -38.37 84.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.749 0.704 . . . . 0.0 111.98 177.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -74.37 -42.22 59.69 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.463 1.105 . . . . 0.0 113.156 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.47 -8.23 59.7 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.263 1.025 . . . . 0.0 113.354 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.48 60.95 2.39 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.486 2.315 . . . . 0.0 113.346 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.3 mm -71.37 163.36 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.571 -0.706 . . . . 0.0 109.679 159.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.5 m -76.86 108.86 7.35 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.819 1.648 . . . . 0.0 113.194 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.08 -25.64 15.87 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.049 2.499 . . . . 0.0 113.21 172.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -59.94 -30.3 68.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.164 0.586 . . . . 0.0 111.952 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -59.77 -43.02 94.56 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.016 0.927 . . . . 0.0 112.138 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.492 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.2 mp -76.27 -45.0 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 124.202 1.001 . . . . 0.0 110.045 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -56.01 -47.14 78.33 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.22 1.008 . . . . 0.0 112.507 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -72.31 -35.89 68.77 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.629 0.772 . . . . 0.0 112.997 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -51.49 65.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.478 1.111 . . . . 0.0 109.884 173.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.38 -42.66 78.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.177 1.391 . . . . 0.0 113.565 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.7 tp -63.18 -36.94 85.31 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.861 0.864 . . . . 0.0 112.569 177.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.6 tp -78.05 -40.74 37.79 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.604 1.162 . . . . 0.0 112.881 176.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.29 73.25 8.34 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -160.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -61.9 -19.55 62.79 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.344 1.458 . . . . 0.0 114.021 169.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 tttp 64.65 -35.78 0.18 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 130.042 3.337 . . . . 0.0 117.607 169.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -69.71 147.32 50.71 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.706 1.202 . . . . 0.0 112.53 177.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.72 156.19 39.81 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.514 1.126 . . . . 0.0 112.897 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -67.04 130.17 93.88 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 123.47 0.708 . . . . 0.0 111.341 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.06 158.11 49.9 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.417 2.745 . . . . 0.0 113.318 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 177.53 164.65 31.38 Favored Glycine 0 CA--C 1.542 1.757 0 C-N-CA 124.286 0.946 . . . . 0.0 113.676 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -64.57 154.82 70.03 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.611 2.874 . . . . 0.0 114.01 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.23 59.18 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.667 0.787 . . . . 0.0 112.851 166.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.33 149.52 48.35 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.816 1.246 . . . . 0.0 112.598 175.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.94 161.96 41.24 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.225 1.81 . . . . 0.0 111.672 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.4 p -62.59 144.81 55.75 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.07 0.948 . . . . 0.0 112.509 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.7 p-80 -158.58 155.07 27.64 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.508 1.523 . . . . 0.0 111.177 -173.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.5 t -157.63 161.21 38.65 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.905 1.282 . . . . 0.0 111.783 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . 0.332 3.7 p 52.19 30.08 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 127.729 2.411 . . . . 0.0 114.736 176.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -65.92 147.94 98.54 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.705 1.202 . . . . 0.0 112.473 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.56 157.51 61.55 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.437 2.758 . . . . 0.0 112.839 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.1 t80 . . . . . 0 C--O 1.254 1.313 0 C-N-CA 125.259 1.424 . . . . 0.0 112.539 176.34 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -59.44 -26.21 65.01 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -171.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -62.99 -15.02 54.79 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.668 1.187 . . . . 0.0 114.146 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 26.5 mmt -73.92 -18.2 60.93 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.173 0.989 . . . . 0.0 113.413 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.47 -176.14 4.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.753 1.221 . . . . 0.0 112.675 173.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 13.9 t -65.77 178.5 1.03 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.392 1.477 . . . . 0.0 113.861 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 98.1 mmm -62.12 -6.67 3.17 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.537 1.935 . . . . 0.0 114.699 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -56.36 -13.2 2.04 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.18 1.792 . . . . 0.0 114.895 170.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -62.0 -34.63 76.54 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.722 1.209 . . . . 0.0 112.924 167.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.92 158.55 28.02 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.6 1.16 . . . . 0.0 112.383 175.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.05 153.36 36.34 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.055 1.342 . . . . 0.0 113.02 177.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -80.33 -19.48 46.43 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.198 0.999 . . . . 0.0 113.545 172.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -74.51 -0.21 16.85 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -169.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -58.3 -20.95 47.1 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.07 1.748 . . . . 0.0 114.484 -176.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -70.69 -21.83 62.53 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 174.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 54.77 29.51 11.94 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.953 1.701 . . . . 0.0 115.0 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.42 -47.61 83.39 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.434 1.094 . . . . 0.0 113.018 -173.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -64.19 -34.47 78.15 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.837 -0.54 . . . . 0.0 112.092 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -71.58 -36.44 70.87 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.792 0.837 . . . . 0.0 112.006 176.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -59.17 -44.11 92.15 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.124 0.874 . . . . 0.0 110.851 170.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -64.6 -27.98 69.32 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -75.58 -47.56 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.945 1.248 . . . . 0.0 111.473 167.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -60.47 -40.03 89.75 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.105 0.962 . . . . 0.0 112.277 -175.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.23 -47.78 55.26 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 118.428 -0.796 . . . . 0.0 111.47 172.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -35.98 76.47 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.179 1.354 . . . . 0.0 113.362 -166.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.72 -35.57 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 122.897 0.479 . . . . 0.0 112.219 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -82.11 -41.14 20.9 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.063 0.945 . . . . 0.0 112.605 176.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.92 -31.45 71.76 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.768 1.227 . . . . 0.0 113.679 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -63.9 -50.46 68.64 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.803 0.841 . . . . 0.0 111.459 173.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -71.48 -36.87 71.31 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.286 1.034 . . . . 0.0 113.081 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.2 -9.11 59.71 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.705 1.202 . . . . 0.0 113.206 174.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.73 53.8 10.05 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.823 2.049 . . . . 0.0 113.488 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 38.5 mm -70.84 165.8 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.549 -0.719 . . . . 0.0 109.135 162.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 38.8 m -77.48 110.16 11.75 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.592 1.157 . . . . 0.0 113.268 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.87 -22.82 14.73 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.872 2.382 . . . . 0.0 112.213 167.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -61.33 -30.23 70.38 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.421 -0.799 . . . . 0.0 112.464 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -60.07 -40.92 91.18 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.501 1.12 . . . . 0.0 112.101 174.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.469 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.2 mp -76.92 -44.35 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 124.136 0.974 . . . . 0.0 109.935 176.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 52.2 ttt85 -53.94 -45.04 71.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.457 0.703 . . . . 0.0 112.774 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -73.63 -40.1 64.03 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.046 0.839 . . . . 0.0 113.091 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -42.36 98.33 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.887 0.875 . . . . 0.0 110.391 175.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 50.8 tp -54.59 -33.07 59.74 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.995 1.318 . . . . 0.0 114.353 174.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.7 mt -75.58 -34.39 60.66 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.967 0.803 . . . . 0.0 113.053 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -87.61 -26.08 23.25 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.873 1.269 . . . . 0.0 113.399 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -66.0 113.17 4.24 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.881 1.673 . . . . 0.0 112.278 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -81.35 -14.0 57.74 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -64.12 -22.6 67.0 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.849 1.425 . . . . 0.0 114.849 -167.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 78.8 p -73.76 -20.94 60.35 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.612 1.165 . . . . 0.0 114.016 174.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.18 160.72 26.83 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.469 1.107 . . . . 0.0 113.195 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -64.52 149.67 94.89 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 124.212 1.005 . . . . 0.0 112.048 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.45 -38.16 6.62 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.223 2.616 . . . . 0.0 113.334 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.27 -162.38 26.45 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 125.683 1.611 . . . . 0.0 113.1 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -68.79 110.17 2.29 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 123.031 2.487 . . . . 0.0 110.808 168.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.88 -34.17 21.05 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.879 1.272 . . . . 0.0 111.944 171.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.72 172.29 11.74 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.174 1.39 . . . . 0.0 112.33 170.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 50.7 tpt85 -64.44 -32.76 74.52 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.505 -0.747 . . . . 0.0 112.385 171.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -63.11 139.54 58.78 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.537 0.608 . . . . 0.0 111.208 174.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -73.48 -8.26 55.17 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 -175.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 66.4 p -70.26 137.72 51.02 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.304 -0.873 . . . . 0.0 111.866 173.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 97.3 t -65.98 130.55 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.143 0.977 . . . . 0.0 110.99 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -82.67 159.57 63.43 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.727 0.811 . . . . 0.0 112.995 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -57.47 153.84 39.12 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.793 2.996 . . . . 0.0 114.12 175.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.548 1.539 . . . . 0.0 111.869 -176.518 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.579 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.85 -40.79 98.54 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.877 -1.14 . . . . 0.0 110.853 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -69.0 -36.29 77.66 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.605 1.162 . . . . 0.0 113.722 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.8 p -72.76 -39.5 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.36 0.982 . . . . 0.0 111.583 171.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -66.6 -44.14 82.95 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.455 0.702 . . . . 0.0 112.597 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 pp -65.95 -39.85 90.83 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.218 0.463 . . . . 0.0 111.496 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -63.54 -43.12 98.04 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.791 0.723 . . . . 0.0 112.863 -172.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.57 -42.22 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.136 0.574 . . . . 0.0 111.563 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -79.95 -35.43 37.68 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.43 -31.8 70.76 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.545 1.138 . . . . 0.0 113.623 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -68.13 -40.98 82.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.323 1.049 . . . . 0.0 112.632 174.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -74.81 -37.3 62.38 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.258 1.023 . . . . 0.0 112.425 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.17 -14.62 58.32 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.949 1.299 . . . . 0.0 113.415 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.6 t30 54.73 53.3 10.74 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.647 1.979 . . . . 0.0 113.442 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.4 mm -65.9 155.82 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 163.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.5 m -72.78 113.17 18.92 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 125.176 1.39 . . . . 0.0 112.845 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -72.44 -26.97 16.44 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.959 2.439 . . . . 0.0 112.833 169.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -59.92 -37.65 80.08 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.626 -0.671 . . . . 0.0 112.148 -173.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -56.73 -41.99 78.44 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.311 1.044 . . . . 0.0 112.24 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.447 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.1 mp -74.89 -49.86 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 C-N-CA 123.325 0.65 . . . . 0.0 109.934 175.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -62.45 -35.56 79.68 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.198 0.908 . . . . 0.0 113.149 -174.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -73.47 -36.52 65.85 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.379 0.991 . . . . 0.0 113.368 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -52.34 62.64 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.469 1.108 . . . . 0.0 109.586 171.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.6 tp -55.69 -40.01 71.79 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.926 2.09 . . . . 0.0 114.284 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.1 tp . . . . . 0 CA--C 1.541 0.614 0 C-N-CA 124.137 0.975 . . . . 0.0 112.358 179.033 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 . . . . . 0 N--CA 1.469 0.495 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -70.35 -52.22 24.24 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.149 0.886 . . . . 0.0 110.099 162.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -64.75 -33.78 76.79 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.017 1.327 . . . . 0.0 114.321 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 t -71.79 -45.43 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.825 1.25 . . . . 0.0 112.103 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -64.44 -45.48 87.33 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.802 0.728 . . . . 0.0 111.234 172.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 tt -56.99 -48.0 79.46 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.813 1.645 . . . . 0.0 111.455 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -46.77 87.57 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.102 0.961 . . . . 0.0 112.376 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 70.1 t -69.25 -46.13 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.479 0.711 . . . . 0.0 111.531 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -74.27 -39.06 63.24 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.434 -0.791 . . . . 0.0 113.077 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.37 -31.27 71.39 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.199 1.0 . . . . 0.0 113.296 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -60.01 -47.2 86.83 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.523 1.129 . . . . 0.0 112.007 169.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -74.72 -32.85 62.25 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.57 -16.27 56.21 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 23.2 m120 54.88 51.86 12.95 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.274 1.83 . . . . 0.0 113.432 -171.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 11.9 mm -68.3 166.72 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 162.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m -77.55 109.87 10.92 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 124.587 1.155 . . . . 0.0 113.613 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -75.21 -21.58 15.32 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.011 2.474 . . . . 0.0 112.783 167.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -60.43 -32.41 71.33 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.155 0.982 . . . . 0.0 112.205 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -59.87 -44.37 94.19 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.049 0.94 . . . . 0.0 112.025 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.46 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.4 mp -72.93 -46.27 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 123.962 0.905 . . . . 0.0 109.765 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -63.01 -44.34 96.25 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -68.1 -36.86 80.46 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.418 1.008 . . . . 0.0 112.471 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.96 -49.5 65.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.313 0.645 . . . . 0.0 111.055 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 tp . . . . . 0 CA--C 1.542 0.667 0 C-N-CA 126.263 1.825 . . . . 0.0 114.0 175.208 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 118.858 2.91 . . . . 0.0 118.858 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -54.84 -40.6 69.78 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 121.138 1.79 . . . . 0.0 111.443 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -62.69 -25.65 68.26 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.448 1.499 . . . . 0.0 114.654 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -81.0 -44.99 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.19 0.905 . . . . 0.0 110.655 171.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.15 -39.56 93.17 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.152 0.981 . . . . 0.0 113.095 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 pp -70.12 -39.48 75.44 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.631 -0.668 . . . . 0.0 111.521 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -64.85 -44.94 88.14 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 118.965 0.802 . . . . 0.0 112.575 -171.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.3 -34.7 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -80.75 -35.13 33.73 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.504 -0.747 . . . . 0.0 112.84 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.9 73.11 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.019 -1.051 . . . . 0.0 113.455 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.03 -46.09 86.02 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.124 0.97 . . . . 0.0 112.355 170.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -70.28 -38.69 75.1 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.266 1.026 . . . . 0.0 112.2 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.43 -15.39 55.26 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.438 1.495 . . . . 0.0 114.209 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 54.96 50.98 14.33 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.101 1.76 . . . . 0.0 112.724 -173.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.1 mm -67.36 161.64 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 O-C-N 121.834 -0.542 . . . . 0.0 109.644 165.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.3 m -79.63 111.55 22.02 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.002 1.321 . . . . 0.0 113.438 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -72.76 -25.11 17.42 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 123.619 2.879 . . . . 0.0 112.99 168.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -60.8 -32.66 72.01 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.616 -0.678 . . . . 0.0 112.511 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -60.23 -41.96 94.24 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.544 1.138 . . . . 0.0 112.273 175.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.419 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.3 mp -74.64 -46.08 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.432 0.693 . . . . 0.0 109.961 177.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -59.7 -44.25 93.75 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.895 0.771 . . . . 0.0 112.944 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -67.08 -35.21 79.32 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 119.856 1.207 . . . . 0.0 113.091 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.01 -52.29 56.9 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.09 0.956 . . . . 0.0 110.058 172.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.48 -37.29 67.63 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.785 1.634 . . . . 0.0 114.181 176.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.7 mt . . . . . 0 CA--C 1.545 0.769 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 177.122 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 117.131 2.271 . . . . 0.0 117.131 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.88 -54.47 28.89 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.802 1.637 . . . . 0.0 111.695 -174.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -60.32 -28.02 67.8 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.0 t -84.74 -42.95 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.669 0.787 . . . . 0.0 111.939 -175.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -66.48 -34.49 78.04 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.923 -0.486 . . . . 0.0 111.153 171.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.08 -54.44 30.0 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.398 1.879 . . . . 0.0 112.449 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -35.85 82.07 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -168.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.62 -38.44 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -78.46 -39.03 39.66 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.376 -0.827 . . . . 0.0 112.578 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.31 -31.25 71.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.118 0.967 . . . . 0.0 112.944 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -62.61 -52.0 65.11 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.616 1.166 . . . . 0.0 112.42 171.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -75.08 -31.69 61.29 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -176.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.06 -15.97 59.41 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.008 0.923 . . . . 0.0 112.927 170.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 54.09 54.18 10.02 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.518 2.327 . . . . 0.0 113.138 -176.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.06 165.65 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 159.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 49.8 m -78.01 109.04 8.73 Favored Pre-proline 0 CA--C 1.547 0.865 0 O-C-N 120.797 -1.189 . . . . 0.0 113.569 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -74.52 -21.48 16.98 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.949 2.433 . . . . 0.0 112.746 167.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -58.28 -34.93 71.06 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.533 0.733 . . . . 0.0 111.216 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -57.87 -42.36 84.38 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.236 1.015 . . . . 0.0 112.219 176.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.459 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.3 mp -75.16 -45.21 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 123.715 0.806 . . . . 0.0 109.887 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -58.15 -42.63 86.33 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -75.11 -33.79 61.64 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.777 0.831 . . . . 0.0 113.084 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -47.48 79.88 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.287 0.635 . . . . 0.0 110.36 170.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.9 mt . . . . . 0 N--CA 1.475 0.813 0 CA-C-N 119.666 1.121 . . . . 0.0 112.758 171.519 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -58.73 -42.2 88.22 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.289 1.404 . . . . 0.0 111.247 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -63.29 -28.33 69.95 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.427 1.491 . . . . 0.0 113.96 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.67 -46.29 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 118.892 0.769 . . . . 0.0 110.77 171.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -66.39 -32.52 73.96 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 pp -72.45 -45.54 59.11 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.017 0.826 . . . . 0.0 111.452 169.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -62.62 -42.58 99.67 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.975 0.91 . . . . 0.0 112.888 -171.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.2 p -62.16 -33.04 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.604 0.762 . . . . 0.0 112.932 -176.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -104.45 -29.51 10.65 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.94 -32.51 69.65 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.696 1.134 . . . . 0.0 113.46 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -66.16 -34.96 79.23 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 172.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -83.73 -34.92 24.76 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.132 1.373 . . . . 0.0 112.809 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.87 -15.09 58.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.991 1.317 . . . . 0.0 112.752 172.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m120 59.46 50.66 7.3 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 127.599 2.36 . . . . 0.0 113.231 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.4 mm -64.24 160.88 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.31 0.644 . . . . 0.0 109.676 164.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.8 m -76.27 112.38 20.73 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.897 1.279 . . . . 0.0 112.992 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -74.61 -22.47 15.71 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.238 2.625 . . . . 0.0 113.456 170.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.48 -38.2 83.5 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.394 0.677 . . . . 0.0 112.515 -169.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -56.53 -43.55 79.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.287 1.035 . . . . 0.0 111.993 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.512 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.0 mp -72.43 -51.84 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 C-N-CA 123.943 0.897 . . . . 0.0 109.453 176.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -56.81 -33.08 66.37 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.288 1.035 . . . . 0.0 112.919 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -86.23 -43.34 13.05 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.354 1.462 . . . . 0.0 114.038 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.78 -37.18 85.66 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.516 1.053 . . . . 0.0 111.697 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.4 tp -55.41 -24.94 32.91 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.876 2.07 . . . . 0.0 114.994 170.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt . . . . . 0 N--CA 1.474 0.775 0 CA-C-N 119.3 0.955 . . . . 0.0 112.451 173.599 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 116.808 2.151 . . . . 0.0 116.808 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.98 -42.59 63.05 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.533 1.515 . . . . 0.0 111.66 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -61.38 -29.48 69.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.165 1.386 . . . . 0.0 114.388 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -79.74 -44.22 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 119.106 0.866 . . . . 0.0 110.859 173.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.79 -42.55 97.7 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.372 0.669 . . . . 0.0 112.459 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.56 -38.96 77.65 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.599 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -51.02 68.91 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.771 1.169 . . . . 0.0 113.36 -169.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.42 -37.01 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 122.101 -0.374 . . . . 0.0 111.79 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -74.74 -38.85 62.15 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.032 0.933 . . . . 0.0 112.455 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.53 -34.26 76.74 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.609 1.164 . . . . 0.0 113.037 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -63.47 -44.97 92.9 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.316 1.046 . . . . 0.0 111.631 169.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -68.51 -40.27 80.91 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.789 0.836 . . . . 0.0 112.867 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.72 -12.74 55.41 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.197 1.399 . . . . 0.0 114.327 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 m120 56.25 57.22 5.14 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.537 1.935 . . . . 0.0 113.717 -173.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 37.3 mm -65.23 164.19 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 121.586 -0.696 . . . . 0.0 109.45 158.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 74.9 m -77.33 110.33 12.09 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.936 1.294 . . . . 0.0 113.053 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.8 -21.26 18.99 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.482 2.788 . . . . 0.0 112.963 169.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -56.45 -37.19 69.95 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.012 0.925 . . . . 0.0 111.669 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -59.16 -40.49 85.74 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.172 0.989 . . . . 0.0 112.532 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.437 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.3 mp -76.39 -45.21 34.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 123.924 0.89 . . . . 0.0 110.099 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -60.85 -44.15 97.39 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.724 0.81 . . . . 0.0 112.618 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -71.04 -35.0 71.81 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.113 0.869 . . . . 0.0 113.03 178.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -53.27 56.83 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.223 1.009 . . . . 0.0 109.634 170.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 65.4 tp . . . . . 0 CA--C 1.544 0.717 0 C-N-CA 126.06 1.744 . . . . 0.0 114.721 175.295 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 118.707 2.855 . . . . 0.0 118.707 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -51.84 -49.18 63.36 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 120.963 1.71 . . . . 0.0 111.398 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -56.64 -31.97 64.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.663 1.585 . . . . 0.0 114.587 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.9 t -81.47 -43.13 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.094 0.558 . . . . 0.0 111.578 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -64.65 -40.81 96.08 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.218 0.532 . . . . 0.0 111.033 171.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tt -58.31 -51.67 68.8 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.249 1.819 . . . . 0.0 111.715 175.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -62.28 -33.97 75.66 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.617 1.099 . . . . 0.0 113.132 -172.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.8 t -72.37 -48.8 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.622 0.769 . . . . 0.0 111.362 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -73.32 -37.5 66.14 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.646 -0.659 . . . . 0.0 112.363 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.34 -31.1 69.32 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.192 0.997 . . . . 0.0 113.351 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.4 -40.61 93.63 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.937 1.295 . . . . 0.0 112.473 169.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -69.89 -42.15 73.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.259 0.623 . . . . 0.0 112.296 173.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.9 -16.68 49.8 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 115.416 1.635 . . . . 0.0 115.416 -176.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 57.34 71.24 0.59 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.393 1.877 . . . . 0.0 113.187 -172.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.8 mm -105.25 69.75 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.123 1.369 . . . . 0.0 111.648 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 m 45.46 62.37 10.87 Favored Pre-proline 0 CA--C 1.554 1.097 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 162.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -58.08 -22.87 58.02 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 123.692 2.928 . . . . 0.0 114.042 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -56.83 -35.03 68.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.375 1.07 . . . . 0.0 113.03 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -58.38 -38.67 77.77 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.301 0.955 . . . . 0.0 112.13 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.414 HD12 ' H ' ' A' ' 38' ' ' ILE . 3.9 mp -82.38 -48.39 18.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 125.241 1.416 . . . . 0.0 109.898 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -59.67 -36.57 76.7 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.076 0.95 . . . . 0.0 112.845 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -76.24 -42.05 47.09 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.36 1.064 . . . . 0.0 112.733 174.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.07 -35.94 80.93 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.506 0.594 . . . . 0.0 111.135 -176.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.8 mt -54.65 -25.36 26.33 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 170.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.5 mt . . . . . 0 N--CA 1.474 0.735 0 CA-C-N 119.54 1.064 . . . . 0.0 112.662 175.272 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -61.04 -44.34 97.54 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.363 0.983 . . . . 0.0 110.241 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -62.9 -38.74 92.17 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.774 1.229 . . . . 0.0 114.315 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 8.6 m -76.48 -31.8 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.329 0.968 . . . . 0.0 112.067 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -72.89 -44.78 60.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.771 0.829 . . . . 0.0 112.265 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 pp -66.64 -37.03 83.97 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.685 177.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -58.73 -51.65 69.05 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.464 1.029 . . . . 0.0 112.782 -171.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.43 -44.65 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 123.482 0.713 . . . . 0.0 111.189 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -67.16 -40.63 86.68 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.31 0.644 . . . . 0.0 112.116 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.95 -33.92 75.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.467 1.107 . . . . 0.0 113.615 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -69.85 -41.16 75.26 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.91 1.284 . . . . 0.0 112.254 172.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -70.03 -45.69 66.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.755 0.822 . . . . 0.0 112.447 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.85 -0.76 57.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.07 1.348 . . . . 0.0 114.507 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 60.7 t30 54.72 56.82 6.29 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.836 1.655 . . . . 0.0 113.998 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 45.0 mm -65.93 167.87 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 158.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -67.83 118.85 61.89 Favored Pre-proline 0 N--CA 1.475 0.786 0 O-C-N 120.487 -1.383 . . . . 0.0 112.426 170.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -84.25 -28.58 1.12 Allowed 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.564 2.176 . . . . 0.0 111.838 160.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.74 -34.33 76.97 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.218 -0.926 . . . . 0.0 112.043 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -56.68 -38.18 71.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.372 0.669 . . . . 0.0 112.558 174.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -79.52 -51.16 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.559 1.143 . . . . 0.0 110.845 174.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -61.0 -36.5 79.64 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.998 0.817 . . . . 0.0 113.159 -175.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.7 pttm -71.8 -37.8 70.35 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.341 0.973 . . . . 0.0 112.832 175.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -67.4 -45.73 75.3 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.612 1.565 . . . . 0.0 110.238 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.3 tp . . . . . 0 CA--C 1.538 0.506 0 C-N-CA 126.237 1.815 . . . . 0.0 113.318 173.378 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -52.74 -53.52 46.74 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.07 1.305 . . . . 0.0 110.818 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -59.78 -32.24 70.42 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.531 1.532 . . . . 0.0 115.078 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -76.73 -47.28 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.153 0.888 . . . . 0.0 111.485 -174.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -66.3 -42.95 87.59 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.935 -0.478 . . . . 0.0 111.043 173.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tt -53.82 -49.24 68.81 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.5 1.52 . . . . 0.0 111.583 174.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -58.98 -48.08 82.82 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.821 0.849 . . . . 0.0 112.26 -177.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.89 -49.24 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 123.61 0.764 . . . . 0.0 111.219 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -65.7 -38.24 88.67 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.631 -0.668 . . . . 0.0 112.514 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.9 -33.57 72.36 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -63.24 -48.75 76.91 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.766 0.826 . . . . 0.0 111.173 168.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -65.74 -36.01 82.37 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.62 -18.18 45.6 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 177.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 50.13 62.61 2.58 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.693 1.597 . . . . 0.0 111.813 -164.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.9 mm -67.61 171.61 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 155.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.7 m -82.59 106.24 6.35 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 125.752 1.621 . . . . 0.0 113.693 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.72 -30.24 9.75 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.346 2.698 . . . . 0.0 114.284 174.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -63.66 -28.39 69.87 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.679 -0.638 . . . . 0.0 112.235 -173.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.46 -40.59 91.77 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.71 1.204 . . . . 0.0 112.46 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mp -74.84 -46.43 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 123.32 0.648 . . . . 0.0 110.116 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 ttp85 -55.43 -49.65 71.86 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 118.689 0.677 . . . . 0.0 112.597 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -65.82 -38.06 87.92 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.34 0.973 . . . . 0.0 112.753 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.43 -49.29 67.23 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.05 0.94 . . . . 0.0 110.437 176.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.2 -48.68 73.49 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.756 1.222 . . . . 0.0 112.715 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 -179.202 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -53.47 -44.03 68.62 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.204 1.365 . . . . 0.0 111.42 174.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -63.58 -29.62 70.85 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.622 1.169 . . . . 0.0 113.97 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.2 t -77.54 -45.62 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.921 0.782 . . . . 0.0 110.778 171.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -63.71 -38.33 90.72 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.382 1.473 . . . . 0.0 112.887 -176.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 pp -69.86 -47.69 61.68 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.913 -0.492 . . . . 0.0 110.842 170.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -66.85 -41.15 87.85 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.031 0.832 . . . . 0.0 113.035 -168.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.52 -33.73 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -91.06 -41.31 11.14 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.987 0.915 . . . . 0.0 113.094 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -28.92 70.4 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.554 1.142 . . . . 0.0 113.718 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -65.61 -33.53 76.12 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.056 1.342 . . . . 0.0 113.078 171.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -80.7 -39.24 27.49 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.44 0.696 . . . . 0.0 112.097 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.51 -14.3 57.1 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 58.33 51.72 8.04 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.437 1.895 . . . . 0.0 114.021 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 37.7 mm -76.27 67.3 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.621 1.168 . . . . 0.0 111.787 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 25.1 m 47.61 59.91 15.96 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -61.14 -22.94 76.21 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.069 2.513 . . . . 0.0 113.356 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -56.58 -34.3 67.02 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.515 -0.74 . . . . 0.0 111.998 173.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.59 -43.83 96.94 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.232 0.924 . . . . 0.0 111.871 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.409 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.4 mp -73.72 -43.08 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 123.302 0.641 . . . . 0.0 110.185 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 50.8 ttp85 -61.59 -44.79 96.36 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -68.61 -33.75 74.57 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.976 1.262 . . . . 0.0 112.531 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -49.65 75.2 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.497 0.719 . . . . 0.0 110.594 169.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 50.1 mt . . . . . 0 N--CA 1.479 0.993 0 CA-C-N 120.259 1.391 . . . . 0.0 113.177 172.501 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 . . . . . 0 N--CA 1.469 0.511 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.59 -42.3 98.29 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.609 1.095 . . . . 0.0 110.645 171.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -69.05 -37.84 78.78 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.925 1.29 . . . . 0.0 113.722 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.1 m -73.89 -33.21 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-N 119.809 1.186 . . . . 0.0 112.579 172.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -67.57 -48.6 66.43 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.677 0.671 . . . . 0.0 111.583 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.16 -36.21 82.5 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 118.021 -0.99 . . . . 0.0 111.999 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -33.79 76.82 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.482 1.492 . . . . 0.0 113.435 -171.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.1 t -74.67 -47.75 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.884 0.873 . . . . 0.0 110.715 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -67.53 -36.45 81.04 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.523 -0.736 . . . . 0.0 112.369 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.97 -31.55 68.14 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.416 1.087 . . . . 0.0 113.61 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -63.0 -48.93 76.69 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.314 1.046 . . . . 0.0 111.071 169.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -71.95 -35.9 69.72 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.62 -4.41 56.05 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.509 1.123 . . . . 0.0 113.418 172.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 47.68 56.19 7.44 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 127.118 2.167 . . . . 0.0 113.414 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.7 mm -72.2 173.39 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.943 1.297 . . . . 0.0 110.096 170.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.0 m -78.47 107.34 5.56 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 124.998 1.319 . . . . 0.0 113.225 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.09 -25.8 22.15 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.658 2.239 . . . . 0.0 112.654 166.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -58.09 -33.28 68.91 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.759 0.824 . . . . 0.0 112.104 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -57.07 -39.06 74.22 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.591 1.157 . . . . 0.0 112.428 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.449 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.0 mp -81.52 -45.38 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 125.098 1.359 . . . . 0.0 109.974 176.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -58.52 -39.87 81.32 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.635 1.174 . . . . 0.0 113.358 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -74.66 -38.12 62.52 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.466 1.106 . . . . 0.0 112.679 174.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -67.49 -36.33 80.89 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.952 1.301 . . . . 0.0 110.702 -177.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.7 mt -54.64 -25.65 28.07 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 170.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.3 mt . . . . . 0 CA--C 1.544 0.741 0 CA-C-N 119.42 1.009 . . . . 0.0 112.676 174.865 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 . . . . . 0 CA--C 1.536 0.439 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -62.18 -43.18 99.4 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.742 0.701 . . . . 0.0 110.937 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -64.86 -30.83 71.84 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 86.0 t -73.07 -47.77 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 119.039 0.836 . . . . 0.0 111.06 168.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -62.13 -43.86 97.9 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.918 0.887 . . . . 0.0 112.854 -174.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.27 -39.48 86.06 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.109 0.564 . . . . 0.0 111.685 174.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -63.16 -46.26 87.97 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.782 0.833 . . . . 0.0 111.637 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 44.3 t -58.07 -39.56 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.037 0.935 . . . . 0.0 111.783 -177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -85.44 -43.49 13.57 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.69 -31.57 70.82 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 pttm -70.16 -30.05 67.1 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -81.91 -41.04 21.46 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.241 1.016 . . . . 0.0 111.752 171.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.64 -14.77 57.88 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.106 1.363 . . . . 0.0 113.795 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 60.0 t30 60.88 51.55 4.63 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.28 1.432 . . . . 0.0 113.29 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 41.9 mm -68.66 161.4 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 156.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.5 m -74.24 111.42 12.62 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.348 1.459 . . . . 0.0 113.449 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.91 -23.72 12.08 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.108 2.538 . . . . 0.0 113.219 169.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -60.53 -32.68 71.71 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.659 0.784 . . . . 0.0 112.039 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -58.21 -40.65 82.17 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.756 1.222 . . . . 0.0 112.103 174.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mp -78.33 -45.8 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 123.748 0.819 . . . . 0.0 110.408 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -59.53 -41.24 89.56 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -68.97 -39.2 79.57 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.472 1.033 . . . . 0.0 112.375 175.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -47.07 74.24 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.405 1.082 . . . . 0.0 111.132 -178.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 N--CA 1.475 0.795 0 O-C-N 120.5 -1.375 . . . . 0.0 113.659 174.815 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.7 -49.44 77.72 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.67 1.123 . . . . 0.0 110.166 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -60.85 -38.47 85.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.195 1.398 . . . . 0.0 114.153 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.6 p -76.11 -40.58 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.174 0.897 . . . . 0.0 112.766 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -71.53 -31.69 67.32 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.949 0.795 . . . . 0.0 111.919 175.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 tt -61.89 -55.19 32.31 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.942 1.697 . . . . 0.0 111.564 170.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -32.08 73.55 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -168.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.17 -31.65 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -89.72 -31.01 17.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.186 0.903 . . . . 0.0 112.94 172.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.25 -28.24 68.57 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.233 -0.917 . . . . 0.0 113.27 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -69.66 -34.03 73.41 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 168.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -73.73 -41.37 62.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.513 0.725 . . . . 0.0 111.249 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.82 -13.93 57.01 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.7 1.2 . . . . 0.0 114.23 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.5 t30 54.5 55.04 8.49 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.878 2.471 . . . . 0.0 114.24 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.1 mm -81.2 62.98 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.676 1.19 . . . . 0.0 112.522 -175.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 m 48.19 59.74 16.39 Favored Pre-proline 0 CA--C 1.551 1.019 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 167.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -57.15 -24.31 57.97 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.786 2.991 . . . . 0.0 114.182 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -56.49 -33.87 66.39 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.543 0.737 . . . . 0.0 111.947 175.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -60.6 -45.27 94.62 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.108 0.963 . . . . 0.0 111.913 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.422 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.3 mp -71.83 -43.97 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 123.256 0.622 . . . . 0.0 109.913 178.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -54.74 -49.99 69.46 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.838 0.855 . . . . 0.0 112.119 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -74.44 -37.52 63.27 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.28 -38.06 86.9 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.738 -0.649 . . . . 0.0 111.582 174.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.27 -40.38 70.94 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.298 1.408 . . . . 0.0 113.143 175.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 CA--C 1.547 0.829 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 174.779 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 113.175 0.805 . . . . 0.0 113.175 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -54.03 -48.69 70.24 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.738 1.153 . . . . 0.0 110.776 171.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -66.1 -26.11 67.31 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -77.75 -48.18 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.204 0.911 . . . . 0.0 110.896 171.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -68.82 -35.78 77.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.846 0.858 . . . . 0.0 112.654 -174.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.02 -43.19 83.45 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.573 0.624 . . . . 0.0 110.939 169.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 19.2 tmm? -64.95 -48.52 73.79 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.192 0.906 . . . . 0.0 112.378 -171.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.1 p -61.67 -34.48 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -80.17 -43.85 20.87 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.612 0.765 . . . . 0.0 112.557 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.28 75.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.891 1.276 . . . . 0.0 113.733 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -68.33 -41.01 81.39 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.336 1.454 . . . . 0.0 112.938 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -74.08 -42.41 60.19 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.291 0.636 . . . . 0.0 112.149 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.95 -9.58 59.82 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 55.93 62.96 2.18 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.605 1.562 . . . . 0.0 113.202 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 37.5 mm -69.67 164.88 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.288 154.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.1 m -75.63 111.37 14.06 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.7 1.6 . . . . 0.0 113.1 174.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -76.43 -27.15 8.04 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.984 2.456 . . . . 0.0 112.363 167.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -59.91 -35.29 74.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.629 1.172 . . . . 0.0 113.397 -170.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -60.66 -40.66 92.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.157 0.983 . . . . 0.0 112.215 175.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 mp -77.75 -45.66 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.073 0.949 . . . . 0.0 110.717 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -56.59 -47.13 80.22 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.03 1.332 . . . . 0.0 112.336 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -68.46 -37.53 80.27 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -54.15 36.7 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.383 1.073 . . . . 0.0 110.88 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 N--CA 1.476 0.829 0 CA-C-N 120.092 1.315 . . . . 0.0 113.292 -178.825 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -52.04 -40.85 61.73 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 120.618 -1.301 . . . . 0.0 111.332 169.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -61.1 -27.52 68.43 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.704 1.601 . . . . 0.0 114.326 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.9 t -84.71 -43.83 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.7 0.8 . . . . 0.0 110.724 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -60.2 -39.84 87.96 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.455 0.702 . . . . 0.0 112.403 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.67 -45.7 67.75 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.61 -0.709 . . . . 0.0 111.793 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -34.0 76.02 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.888 1.222 . . . . 0.0 113.021 -169.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.19 -39.33 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 123.881 0.872 . . . . 0.0 111.61 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -87.7 -34.02 18.54 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.01 70.84 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -173.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -68.85 -33.22 73.45 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 171.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -81.12 -42.88 20.25 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.528 1.131 . . . . 0.0 111.771 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.25 -0.98 43.14 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.356 1.462 . . . . 0.0 113.352 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 48.95 56.37 7.85 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 128.049 2.539 . . . . 0.0 114.452 175.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.4 mm -73.98 161.29 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 124.382 1.073 . . . . 0.0 109.57 162.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 m -74.46 113.05 20.19 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 125.247 1.419 . . . . 0.0 113.021 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.44 -24.7 18.93 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.868 2.379 . . . . 0.0 112.344 165.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -59.51 -37.57 78.65 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.683 0.793 . . . . 0.0 112.35 -171.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -55.38 -45.65 76.57 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.407 1.083 . . . . 0.0 111.907 176.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.461 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.2 mp -74.68 -48.09 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 123.826 0.85 . . . . 0.0 109.89 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -57.18 -39.64 75.74 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.776 0.83 . . . . 0.0 112.786 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -79.9 -39.05 31.26 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.36 1.064 . . . . 0.0 113.354 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.05 -39.14 86.86 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.35 0.523 . . . . 0.0 111.628 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 tp -54.71 -42.68 71.81 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.64 1.576 . . . . 0.0 112.678 172.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 tt . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 124.839 1.255 . . . . 0.0 113.111 179.12 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 . . . . . 0 CA--C 1.539 0.544 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -55.06 -46.17 75.36 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.18 0.9 . . . . 0.0 110.627 173.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -60.94 -26.44 67.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.579 1.552 . . . . 0.0 114.14 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -78.27 -48.4 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 123.831 0.853 . . . . 0.0 111.651 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -67.66 -33.3 74.67 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.636 0.653 . . . . 0.0 111.763 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.82 -49.3 73.39 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 126.1 1.76 . . . . 0.0 111.116 175.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -56.38 -53.05 61.91 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.197 0.999 . . . . 0.0 112.613 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.04 -37.45 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -170.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -77.22 -43.01 35.14 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.211 0.604 . . . . 0.0 112.564 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.44 71.58 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.286 0.948 . . . . 0.0 113.323 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -65.36 -51.88 57.49 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.789 1.236 . . . . 0.0 112.327 172.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -68.23 -41.46 81.17 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.217 0.607 . . . . 0.0 112.149 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.83 -2.39 50.81 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.792 1.237 . . . . 0.0 113.848 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 49.8 t30 48.7 63.1 2.24 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.794 1.637 . . . . 0.0 113.407 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 39.9 mm -75.72 166.77 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 C-N-CA 123.874 0.87 . . . . 0.0 108.852 156.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m -76.04 110.78 12.01 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.537 1.535 . . . . 0.0 113.619 175.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.02 -21.51 15.73 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.242 2.628 . . . . 0.0 112.752 166.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.25 -36.53 73.34 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.101 0.96 . . . . 0.0 111.771 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -56.19 -42.16 76.69 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.239 1.016 . . . . 0.0 112.187 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.426 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.2 mp -77.42 -48.48 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.55 1.14 . . . . 0.0 109.895 178.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -63.62 -32.83 74.42 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -78.87 -39.81 34.16 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.128 0.971 . . . . 0.0 112.796 173.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -66.81 -36.45 82.41 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.551 0.74 . . . . 0.0 111.772 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 63.4 tp . . . . . 0 CA--C 1.546 0.818 0 C-N-CA 126.301 1.84 . . . . 0.0 114.278 171.34 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -60.54 -48.66 80.81 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.775 -1.203 . . . . 0.0 110.353 168.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -61.1 -39.3 89.44 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -176.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.08 -33.4 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.156 0.889 . . . . 0.0 112.733 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -70.53 -39.03 74.3 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.504 0.721 . . . . 0.0 111.473 171.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.42 -51.94 60.65 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.564 1.946 . . . . 0.0 112.078 176.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -35.37 80.55 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -165.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.64 -34.32 60.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 118.528 0.604 . . . . 0.0 112.624 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -81.33 -39.21 25.49 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.659 0.784 . . . . 0.0 111.802 174.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.24 -28.09 68.46 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.446 1.098 . . . . 0.0 113.127 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -59.18 -47.19 86.21 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.218 1.007 . . . . 0.0 112.046 165.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -73.22 -38.25 66.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.435 1.094 . . . . 0.0 113.09 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.12 -11.05 59.56 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.319 1.048 . . . . 0.0 113.238 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.64 42.74 16.7 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.684 2.393 . . . . 0.0 113.782 179.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.4 mm -76.27 70.19 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.322 1.049 . . . . 0.0 112.327 -176.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 m 46.63 59.8 15.49 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 161.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -56.88 -28.08 75.52 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.116 2.544 . . . . 0.0 113.224 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -58.76 -30.11 67.28 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.948 0.899 . . . . 0.0 113.012 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.41 -45.83 91.32 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.715 0.806 . . . . 0.0 111.297 174.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.421 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.2 mp -71.62 -39.5 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 O-C-N 121.792 -0.567 . . . . 0.0 109.945 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.74 -46.68 77.75 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 174.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -76.31 -34.29 59.04 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -41.03 99.32 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.517 0.727 . . . . 0.0 110.765 172.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.0 mt -54.68 -43.09 72.16 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.329 -1.482 . . . . 0.0 113.401 171.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.1 tp . . . . . 0 CA--C 1.545 0.786 0 C-N-CA 123.811 0.844 . . . . 0.0 112.883 177.685 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 CA--C 1.549 0.925 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -54.55 -55.71 26.49 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.409 1.083 . . . . 0.0 110.555 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -58.56 -31.42 67.97 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.722 1.209 . . . . 0.0 114.129 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.7 t -82.57 -36.74 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 118.808 0.731 . . . . 0.0 112.268 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.72 -41.46 75.29 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.476 -0.765 . . . . 0.0 111.206 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 tt -59.68 -49.22 78.58 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.232 1.813 . . . . 0.0 112.499 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -39.31 94.0 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.052 0.842 . . . . 0.0 113.038 -170.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 13.4 p -76.48 -37.73 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.337 0.655 . . . . 0.0 112.264 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.14 -42.16 84.85 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.336 -0.852 . . . . 0.0 111.528 173.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.55 -31.97 72.43 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.356 1.062 . . . . 0.0 113.327 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -63.66 -51.37 65.44 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.879 1.272 . . . . 0.0 111.815 167.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.79 -41.7 91.65 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.93 -9.14 59.45 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.101 1.36 . . . . 0.0 114.341 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 51.05 59.4 4.64 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.16 1.784 . . . . 0.0 113.564 -174.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.406 HG22 ' N ' ' B' ' 34' ' ' SER . 45.4 mm -69.89 168.7 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 123.507 0.723 . . . . 0.0 109.64 160.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . 0.406 ' N ' HG22 ' B' ' 33' ' ' ILE . 44.8 m -74.8 110.84 10.9 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.886 1.674 . . . . 0.0 113.762 173.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -79.45 -22.97 7.68 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.354 2.702 . . . . 0.0 112.214 163.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -56.65 -42.33 78.74 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.841 1.656 . . . . 0.0 113.012 -173.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.05 -44.9 91.85 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.701 0.8 . . . . 0.0 111.639 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -70.9 -48.72 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 C-N-CA 123.542 0.737 . . . . 0.0 110.444 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -54.31 -47.66 72.21 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.263 0.625 . . . . 0.0 112.538 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -75.43 -37.23 60.53 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -65.73 -45.7 81.64 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 119.001 -0.524 . . . . 0.0 111.566 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.4 tt . . . . . 0 CA--C 1.54 0.588 0 C-N-CA 124.381 1.072 . . . . 0.0 113.258 173.416 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -51.83 -52.39 49.67 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.276 1.398 . . . . 0.0 110.897 176.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -56.56 -36.8 69.73 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.225 1.41 . . . . 0.0 114.637 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.9 m -82.95 -26.67 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.717 1.144 . . . . 0.0 113.727 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -74.57 -44.29 51.61 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.29 0.95 . . . . 0.0 110.804 166.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tt -57.13 -48.14 79.4 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 127.359 2.264 . . . . 0.0 112.29 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -65.05 -34.16 77.76 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.746 0.703 . . . . 0.0 112.862 -174.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.94 -43.86 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.278 1.031 . . . . 0.0 111.339 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -71.67 -42.4 67.52 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.95 -0.468 . . . . 0.0 111.909 175.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -40.1 90.47 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -176.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -67.4 -38.37 84.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.749 0.704 . . . . 0.0 111.98 177.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -74.37 -42.22 59.69 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.463 1.105 . . . . 0.0 113.156 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.47 -8.23 59.7 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.263 1.025 . . . . 0.0 113.354 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.48 60.95 2.39 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.486 2.315 . . . . 0.0 113.346 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.3 mm -71.37 163.36 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.571 -0.706 . . . . 0.0 109.679 159.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.5 m -76.86 108.86 7.35 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.819 1.648 . . . . 0.0 113.194 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.08 -25.64 15.87 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.049 2.499 . . . . 0.0 113.21 172.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -59.94 -30.3 68.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.164 0.586 . . . . 0.0 111.952 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -59.77 -43.02 94.56 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.016 0.927 . . . . 0.0 112.138 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.492 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.2 mp -76.27 -45.0 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 124.202 1.001 . . . . 0.0 110.045 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -56.01 -47.14 78.33 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.22 1.008 . . . . 0.0 112.507 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -72.31 -35.89 68.77 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.629 0.772 . . . . 0.0 112.997 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -51.49 65.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.478 1.111 . . . . 0.0 109.884 173.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.38 -42.66 78.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.177 1.391 . . . . 0.0 113.565 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.7 tp . . . . . 0 CA--C 1.542 0.67 0 C-N-CA 123.861 0.864 . . . . 0.0 112.569 177.318 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 . . . . . 0 CA--C 1.537 0.468 0 CA-C-O 119.141 -0.457 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -59.17 -44.11 92.15 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.124 0.874 . . . . 0.0 110.851 170.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -64.6 -27.98 69.32 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -75.58 -47.56 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.945 1.248 . . . . 0.0 111.473 167.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -60.47 -40.03 89.75 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.105 0.962 . . . . 0.0 112.277 -175.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.23 -47.78 55.26 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 118.428 -0.796 . . . . 0.0 111.47 172.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -35.98 76.47 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.179 1.354 . . . . 0.0 113.362 -166.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.72 -35.57 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 122.897 0.479 . . . . 0.0 112.219 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -82.11 -41.14 20.9 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.063 0.945 . . . . 0.0 112.605 176.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.92 -31.45 71.76 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.768 1.227 . . . . 0.0 113.679 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -63.9 -50.46 68.64 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.803 0.841 . . . . 0.0 111.459 173.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -71.48 -36.87 71.31 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.286 1.034 . . . . 0.0 113.081 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.2 -9.11 59.71 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.705 1.202 . . . . 0.0 113.206 174.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.73 53.8 10.05 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.823 2.049 . . . . 0.0 113.488 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 38.5 mm -70.84 165.8 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.549 -0.719 . . . . 0.0 109.135 162.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 38.8 m -77.48 110.16 11.75 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.592 1.157 . . . . 0.0 113.268 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.87 -22.82 14.73 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.872 2.382 . . . . 0.0 112.213 167.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -61.33 -30.23 70.38 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.421 -0.799 . . . . 0.0 112.464 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -60.07 -40.92 91.18 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.501 1.12 . . . . 0.0 112.101 174.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.469 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.2 mp -76.92 -44.35 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 124.136 0.974 . . . . 0.0 109.935 176.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 52.2 ttt85 -53.94 -45.04 71.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.457 0.703 . . . . 0.0 112.774 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -73.63 -40.1 64.03 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.046 0.839 . . . . 0.0 113.091 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -42.36 98.33 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.887 0.875 . . . . 0.0 110.391 175.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 50.8 tp . . . . . 0 CA--C 1.545 0.766 0 C-N-CA 124.995 1.318 . . . . 0.0 114.353 174.33 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -71.27 151.52 44.17 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.987 0.915 . . . . 0.0 112.793 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -66.64 149.55 50.33 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.107 0.963 . . . . 0.0 112.583 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.8 tpt -149.01 142.13 24.94 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.696 1.598 . . . . 0.0 110.749 172.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.17 151.89 46.31 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.335 1.054 . . . . 0.0 113.185 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -154.68 160.47 41.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.32 1.448 . . . . 0.0 111.871 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.52 137.91 50.59 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.786 0.834 . . . . 0.0 111.036 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -70.76 -10.65 59.94 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -175.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -142.79 155.4 44.82 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.645 1.578 . . . . 0.0 111.902 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.42 153.81 40.26 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.471 1.108 . . . . 0.0 112.786 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -68.91 150.68 47.48 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.704 1.202 . . . . 0.0 111.696 173.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -123.53 160.07 27.77 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.679 1.592 . . . . 0.0 111.921 176.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -79.23 -1.82 38.23 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.365 1.066 . . . . 0.0 113.655 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -86.59 133.79 33.69 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.907 1.683 . . . . 0.0 111.376 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -139.87 150.27 44.42 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.278 1.031 . . . . 0.0 112.415 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -76.11 127.27 32.59 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.669 1.188 . . . . 0.0 112.547 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.26 149.39 15.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.903 1.681 . . . . 0.0 109.724 169.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -154.15 -73.02 0.13 Allowed 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.66 -17.61 57.53 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -162.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.85 -40.79 98.54 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.877 -1.14 . . . . 0.0 110.853 172.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -69.0 -36.29 77.66 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.605 1.162 . . . . 0.0 113.722 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.8 p -72.76 -39.5 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.36 0.982 . . . . 0.0 111.583 171.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -66.6 -44.14 82.95 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.455 0.702 . . . . 0.0 112.597 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 pp -65.95 -39.85 90.83 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 118.218 0.463 . . . . 0.0 111.496 175.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -63.54 -43.12 98.04 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.791 0.723 . . . . 0.0 112.863 -172.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.8 t -62.57 -42.22 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.136 0.574 . . . . 0.0 111.563 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -79.95 -35.43 37.68 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.43 -31.8 70.76 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.545 1.138 . . . . 0.0 113.623 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -68.13 -40.98 82.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.323 1.049 . . . . 0.0 112.632 174.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -74.81 -37.3 62.38 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.258 1.023 . . . . 0.0 112.425 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.17 -14.62 58.32 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.949 1.299 . . . . 0.0 113.415 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.6 t30 54.73 53.3 10.74 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.647 1.979 . . . . 0.0 113.442 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.4 mm -65.9 155.82 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 163.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.5 m -72.78 113.17 18.92 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 125.176 1.39 . . . . 0.0 112.845 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -72.44 -26.97 16.44 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.959 2.439 . . . . 0.0 112.833 169.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -59.92 -37.65 80.08 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.626 -0.671 . . . . 0.0 112.148 -173.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -56.73 -41.99 78.44 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.311 1.044 . . . . 0.0 112.24 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.447 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.1 mp -74.89 -49.86 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 C-N-CA 123.325 0.65 . . . . 0.0 109.934 175.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -62.45 -35.56 79.68 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.198 0.908 . . . . 0.0 113.149 -174.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -73.47 -36.52 65.85 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 119.379 0.991 . . . . 0.0 113.368 176.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -52.34 62.64 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.469 1.108 . . . . 0.0 109.586 171.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.6 tp -55.69 -40.01 71.79 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.926 2.09 . . . . 0.0 114.284 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.1 tp -62.15 -37.35 84.87 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.137 0.975 . . . . 0.0 112.358 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.1 tt -72.42 -51.15 21.59 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.384 0.674 . . . . 0.0 110.858 168.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -84.85 41.45 0.86 Allowed 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -164.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -73.63 61.02 0.7 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.385 1.474 . . . . 0.0 110.661 170.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 164.22 23.04 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 127.662 2.385 . . . . 0.0 114.653 -168.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 t -160.51 152.03 19.55 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.303 1.841 . . . . 0.0 110.444 169.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.11 156.83 36.63 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.708 0.803 . . . . 0.0 113.11 174.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -66.24 133.5 94.58 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 123.914 0.886 . . . . 0.0 111.972 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -73.81 166.16 30.41 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.703 2.935 . . . . 0.0 113.323 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.15 163.34 54.54 Favored Glycine 0 CA--C 1.544 1.883 0 C-N-CA 123.835 0.731 . . . . 0.0 113.801 171.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.89 152.83 73.53 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.848 3.032 . . . . 0.0 112.792 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.71 -26.48 62.51 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 56.14 21.27 5.04 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.636 1.974 . . . . 0.0 115.756 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -71.15 144.35 50.24 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.214 1.406 . . . . 0.0 111.913 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.9 m -62.93 147.59 49.93 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.745 1.218 . . . . 0.0 112.836 176.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -153.37 148.97 27.33 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.056 1.342 . . . . 0.0 111.622 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.4 t -153.83 147.24 24.93 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.066 1.346 . . . . 0.0 111.287 174.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.5 t -86.84 58.64 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.916 1.286 . . . . 0.0 110.085 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -145.11 150.83 46.75 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 126.005 1.722 . . . . 0.0 111.532 -176.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -69.09 160.07 51.35 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 123.502 2.801 . . . . 0.0 112.82 175.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.6 p90 . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.131 1.372 . . . . 0.0 113.323 174.683 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.529 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -64.68 150.15 47.73 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.608 1.163 . . . . 0.0 113.144 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -66.78 145.88 55.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.905 0.882 . . . . 0.0 112.445 177.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 24.8 ptp -156.74 160.3 39.15 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.615 1.566 . . . . 0.0 111.308 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.1 137.81 56.63 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.481 0.712 . . . . 0.0 112.074 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 14.6 t -78.35 156.97 29.26 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.412 1.085 . . . . 0.0 113.095 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 96.4 mtp -73.76 144.25 45.73 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.505 1.122 . . . . 0.0 111.938 175.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -74.73 132.8 41.93 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 128.299 2.639 . . . . 0.0 111.059 -8.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -75.86 -13.51 60.27 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 115.192 1.552 . . . . 0.0 115.192 -169.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.52 138.71 23.67 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.474 1.11 . . . . 0.0 112.461 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -80.5 151.24 29.32 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.238 1.415 . . . . 0.0 111.606 174.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -111.12 150.53 29.3 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.249 1.42 . . . . 0.0 111.186 167.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -107.86 15.14 24.76 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -169.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -67.41 123.38 20.23 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.104 -0.997 . . . . 0.0 111.485 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -79.31 168.93 18.85 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.56 1.144 . . . . 0.0 112.87 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -70.78 131.85 44.45 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.476 -0.765 . . . . 0.0 111.844 172.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.4 tp -62.37 -32.91 73.78 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.961 0.904 . . . . 0.0 111.905 172.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.72 -36.54 69.81 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.9 1.28 . . . . 0.0 113.745 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -75.67 -20.71 58.26 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -172.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -70.35 -52.22 24.24 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.149 0.886 . . . . 0.0 110.099 162.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -64.75 -33.78 76.79 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.017 1.327 . . . . 0.0 114.321 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 t -71.79 -45.43 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.825 1.25 . . . . 0.0 112.103 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -64.44 -45.48 87.33 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.802 0.728 . . . . 0.0 111.234 172.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 tt -56.99 -48.0 79.46 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.813 1.645 . . . . 0.0 111.455 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -46.77 87.57 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.102 0.961 . . . . 0.0 112.376 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 70.1 t -69.25 -46.13 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.479 0.711 . . . . 0.0 111.531 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -74.27 -39.06 63.24 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.434 -0.791 . . . . 0.0 113.077 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.37 -31.27 71.39 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.199 1.0 . . . . 0.0 113.296 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -60.01 -47.2 86.83 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.523 1.129 . . . . 0.0 112.007 169.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -74.72 -32.85 62.25 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.57 -16.27 56.21 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 23.2 m120 54.88 51.86 12.95 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.274 1.83 . . . . 0.0 113.432 -171.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 11.9 mm -68.3 166.72 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 162.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 38.1 m -77.55 109.87 10.92 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 124.587 1.155 . . . . 0.0 113.613 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -75.21 -21.58 15.32 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.011 2.474 . . . . 0.0 112.783 167.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -60.43 -32.41 71.33 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.155 0.982 . . . . 0.0 112.205 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -59.87 -44.37 94.19 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.049 0.94 . . . . 0.0 112.025 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.46 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.4 mp -72.93 -46.27 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 123.962 0.905 . . . . 0.0 109.765 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -63.01 -44.34 96.25 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -68.1 -36.86 80.46 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.418 1.008 . . . . 0.0 112.471 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.96 -49.5 65.24 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.313 0.645 . . . . 0.0 111.055 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 tp -53.02 -39.03 62.87 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.263 1.825 . . . . 0.0 114.0 175.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.3 mt -64.37 -25.57 68.09 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 68.4 tp -90.09 -47.64 7.69 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.205 1.002 . . . . 0.0 111.484 167.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -79.3 58.3 2.54 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 128.09 2.556 . . . . 0.0 111.502 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -77.18 45.11 0.44 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.472 1.509 . . . . 0.0 112.396 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -81.8 171.65 14.27 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.799 2.04 . . . . 0.0 113.306 -172.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 93.2 p -142.17 173.89 11.11 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.975 2.11 . . . . 0.0 110.478 171.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.51 143.1 51.04 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 32.7 p80 -151.8 157.83 34.28 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 125.935 1.694 . . . . 0.0 111.117 -177.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -68.09 164.8 30.64 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.091 2.528 . . . . 0.0 112.174 172.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.58 146.17 45.02 Favored Glycine 0 CA--C 1.544 1.865 0 CA-C-O 119.405 -0.664 . . . . 0.0 113.733 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -71.85 157.86 54.18 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.689 2.926 . . . . 0.0 112.834 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.1 159.52 34.56 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.138 0.975 . . . . 0.0 112.6 171.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.69 155.12 40.6 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.158 1.383 . . . . 0.0 111.727 177.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -58.11 -30.4 66.26 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 125.017 1.327 . . . . 0.0 113.582 -176.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.9 m -70.62 -17.0 62.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.062 1.345 . . . . 0.0 114.449 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -70.91 139.31 50.69 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.168 0.895 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 12.3 t -157.9 156.74 31.87 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.242 1.417 . . . . 0.0 111.062 173.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 82.1 t -76.19 128.02 37.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.092 0.957 . . . . 0.0 110.043 174.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -70.41 150.14 95.73 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 123.34 0.656 . . . . 0.0 112.538 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -62.97 -24.75 74.02 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.137 2.558 . . . . 0.0 115.055 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 126.563 1.945 . . . . 0.0 111.793 -178.238 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.494 0 N-CA-C 111.723 -0.551 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -57.77 145.57 34.35 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.724 1.21 . . . . 0.0 112.922 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 53.57 28.96 8.43 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.902 1.281 . . . . 0.0 113.57 -175.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 94.7 mtp 55.8 18.91 3.17 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.568 2.347 . . . . 0.0 115.098 -172.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.47 151.76 38.0 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.309 1.043 . . . . 0.0 112.503 176.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.5 p -75.71 146.76 39.9 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.599 1.159 . . . . 0.0 112.327 172.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -74.44 145.0 44.0 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.366 1.066 . . . . 0.0 112.218 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -72.49 140.32 48.15 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.672 1.189 . . . . 0.0 110.907 172.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -70.66 116.76 11.35 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.85 0.86 . . . . 0.0 112.215 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -157.16 167.25 30.95 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.654 1.582 . . . . 0.0 111.515 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.38 142.64 57.73 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.115 0.966 . . . . 0.0 111.232 173.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -140.58 39.56 1.87 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.145 1.378 . . . . 0.0 112.607 -172.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -74.0 -8.38 55.92 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -83.24 143.57 30.35 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.634 1.574 . . . . 0.0 112.148 165.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -146.96 167.27 24.4 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.388 1.475 . . . . 0.0 111.939 -176.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -142.08 157.29 45.08 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.581 1.552 . . . . 0.0 111.362 174.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.36 149.09 27.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.321 1.049 . . . . 0.0 112.015 -169.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -146.42 107.61 4.2 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.398 1.479 . . . . 0.0 111.014 -178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 58.58 -5.19 0.06 Allowed 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 118.858 2.91 . . . . 0.0 118.858 169.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -54.84 -40.6 69.78 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 121.138 1.79 . . . . 0.0 111.443 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -62.69 -25.65 68.26 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.448 1.499 . . . . 0.0 114.654 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.6 t -81.0 -44.99 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 119.19 0.905 . . . . 0.0 110.655 171.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -65.15 -39.56 93.17 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.152 0.981 . . . . 0.0 113.095 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 pp -70.12 -39.48 75.44 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.631 -0.668 . . . . 0.0 111.521 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -64.85 -44.94 88.14 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 118.965 0.802 . . . . 0.0 112.575 -171.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.3 -34.7 70.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -80.75 -35.13 33.73 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.504 -0.747 . . . . 0.0 112.84 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.9 73.11 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.019 -1.051 . . . . 0.0 113.455 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.03 -46.09 86.02 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.124 0.97 . . . . 0.0 112.355 170.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -70.28 -38.69 75.1 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.266 1.026 . . . . 0.0 112.2 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.43 -15.39 55.26 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.438 1.495 . . . . 0.0 114.209 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 54.96 50.98 14.33 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.101 1.76 . . . . 0.0 112.724 -173.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 34.1 mm -67.36 161.64 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 O-C-N 121.834 -0.542 . . . . 0.0 109.644 165.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.3 m -79.63 111.55 22.02 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 125.002 1.321 . . . . 0.0 113.438 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -72.76 -25.11 17.42 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 123.619 2.879 . . . . 0.0 112.99 168.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -60.8 -32.66 72.01 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.616 -0.678 . . . . 0.0 112.511 -175.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -60.23 -41.96 94.24 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.544 1.138 . . . . 0.0 112.273 175.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.419 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.3 mp -74.64 -46.08 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.432 0.693 . . . . 0.0 109.961 177.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -59.7 -44.25 93.75 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.895 0.771 . . . . 0.0 112.944 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -67.08 -35.21 79.32 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 119.856 1.207 . . . . 0.0 113.091 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.01 -52.29 56.9 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.09 0.956 . . . . 0.0 110.058 172.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.48 -37.29 67.63 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.785 1.634 . . . . 0.0 114.181 176.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.7 mt -64.82 -27.23 68.74 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.3 tp -82.08 -55.27 4.67 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.9 0.773 . . . . 0.0 111.001 164.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -81.1 64.17 5.74 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.873 1.669 . . . . 0.0 110.394 -170.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -77.86 38.95 0.28 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.883 1.673 . . . . 0.0 112.657 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.5 mtmt -74.96 163.1 27.99 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.633 1.973 . . . . 0.0 112.606 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -146.59 81.36 1.57 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.944 1.297 . . . . 0.0 110.525 170.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.25 43.51 26.33 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.133 1.773 . . . . 0.0 114.86 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -64.51 145.76 98.38 Favored Pre-proline 0 CA--C 1.55 0.968 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -174.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -77.28 -27.06 6.89 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 124.046 3.164 . . . . 0.0 113.821 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.94 166.39 39.67 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 126.016 1.769 . . . . 0.0 114.302 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.42 -23.97 37.27 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.695 2.93 . . . . 0.0 114.037 -171.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.36 -38.47 91.15 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.351 -0.843 . . . . 0.0 112.74 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.73 -35.73 72.83 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.919 0.887 . . . . 0.0 112.564 174.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.2 mmp_? -70.66 -36.26 73.28 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.471 1.108 . . . . 0.0 112.502 176.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.0 t -66.79 -31.59 72.32 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.543 1.137 . . . . 0.0 111.832 168.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 66.22 -20.12 0.1 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 128.75 2.82 . . . . 0.0 115.819 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.6 p -71.49 -36.36 71.09 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.545 1.938 . . . . 0.0 113.206 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 82.5 t -74.15 -44.91 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.409 1.083 . . . . 0.0 111.235 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -154.59 151.83 24.57 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 125.908 1.683 . . . . 0.0 109.858 167.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -65.61 156.04 65.86 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.364 2.043 . . . . 0.0 112.281 172.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.2 t80 . . . . . 0 C--O 1.255 1.346 0 C-N-CA 125.713 1.605 . . . . 0.0 112.105 174.257 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 57.7 p -71.87 167.41 20.08 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.982 0.913 . . . . 0.0 112.931 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -62.07 -17.81 58.68 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 175.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 71.5 mtm -71.14 -15.18 62.48 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.559 1.144 . . . . 0.0 113.489 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.3 -9.23 10.87 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -67.51 -13.62 62.21 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.098 1.359 . . . . 0.0 114.139 171.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 20.7 ptp -63.42 157.3 23.6 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.097 0.959 . . . . 0.0 112.522 174.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -73.45 68.65 1.14 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.653 1.581 . . . . 0.0 111.39 174.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -70.63 148.2 48.35 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.488 1.915 . . . . 0.0 113.14 -172.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.54 166.45 21.15 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.94 1.296 . . . . 0.0 113.039 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -144.56 148.4 34.38 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.613 1.565 . . . . 0.0 111.365 176.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -67.33 -9.25 39.25 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 116.055 1.872 . . . . 0.0 116.055 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -66.1 -15.4 63.06 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -80.51 50.4 1.3 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.242 1.017 . . . . 0.0 113.657 -169.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -63.99 153.37 37.45 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.02 1.328 . . . . 0.0 112.568 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -150.51 150.73 31.66 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.734 1.213 . . . . 0.0 112.035 -177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.8 tp -68.72 143.1 54.81 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.26 1.424 . . . . 0.0 112.228 178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -76.89 35.13 0.15 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 125.329 1.452 . . . . 0.0 113.984 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 57.6 8.36 0.64 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 127.724 2.41 . . . . 0.0 117.131 176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.88 -54.47 28.89 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 120.802 1.637 . . . . 0.0 111.695 -174.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -60.32 -28.02 67.8 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.0 t -84.74 -42.95 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.669 0.787 . . . . 0.0 111.939 -175.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -66.48 -34.49 78.04 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.923 -0.486 . . . . 0.0 111.153 171.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.1 tt -65.08 -54.44 30.0 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.398 1.879 . . . . 0.0 112.449 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -35.85 82.07 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -168.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.62 -38.44 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -78.46 -39.03 39.66 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.376 -0.827 . . . . 0.0 112.578 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.31 -31.25 71.09 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.118 0.967 . . . . 0.0 112.944 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -62.61 -52.0 65.11 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.616 1.166 . . . . 0.0 112.42 171.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -75.08 -31.69 61.29 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -176.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.06 -15.97 59.41 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.008 0.923 . . . . 0.0 112.927 170.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 54.09 54.18 10.02 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.518 2.327 . . . . 0.0 113.138 -176.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.06 165.65 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 159.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 49.8 m -78.01 109.04 8.73 Favored Pre-proline 0 CA--C 1.547 0.865 0 O-C-N 120.797 -1.189 . . . . 0.0 113.569 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -74.52 -21.48 16.98 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.949 2.433 . . . . 0.0 112.746 167.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -58.28 -34.93 71.06 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.533 0.733 . . . . 0.0 111.216 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -57.87 -42.36 84.38 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.236 1.015 . . . . 0.0 112.219 176.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.459 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.3 mp -75.16 -45.21 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 123.715 0.806 . . . . 0.0 109.887 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -58.15 -42.63 86.33 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -75.11 -33.79 61.64 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.777 0.831 . . . . 0.0 113.084 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.09 -47.48 79.88 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.287 0.635 . . . . 0.0 110.36 170.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 59.9 mt -53.17 -44.81 68.15 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.666 1.121 . . . . 0.0 112.758 171.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 63.9 tp -65.34 -40.54 93.8 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.852 0.861 . . . . 0.0 112.979 177.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 66.7 tp -72.04 -35.99 69.52 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.816 1.247 . . . . 0.0 112.078 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -74.57 -16.49 60.81 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.224 1.81 . . . . 0.0 112.263 174.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt 57.47 24.73 10.57 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 127.637 2.375 . . . . 0.0 114.104 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -88.32 143.9 26.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.354 1.462 . . . . 0.0 112.274 -177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 34.4 t -161.82 146.94 13.17 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.65 1.58 . . . . 0.0 110.55 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.3 142.76 54.23 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.698 0.799 . . . . 0.0 112.925 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -131.9 151.65 78.89 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 126.01 1.724 . . . . 0.0 111.497 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.66 -40.69 3.68 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.296 2.664 . . . . 0.0 113.843 -175.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 153.76 177.68 27.48 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.507 1.527 . . . . 0.0 113.885 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -70.04 157.34 60.18 Favored 'Trans proline' 0 CA--C 1.542 0.912 0 C-N-CA 124.077 3.185 . . . . 0.0 112.888 177.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.22 144.99 53.56 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.162 0.985 . . . . 0.0 112.623 175.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.15 163.26 23.23 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.736 1.215 . . . . 0.0 112.685 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.14 -35.53 77.33 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.377 1.071 . . . . 0.0 111.911 171.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.1 t -150.2 141.54 23.28 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.931 1.693 . . . . 0.0 110.031 162.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -91.56 0.76 57.47 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.438 1.095 . . . . 0.0 113.058 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 67.3 p -70.55 150.92 45.61 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.304 1.041 . . . . 0.0 112.598 176.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 35.5 m -75.51 153.3 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.272 1.029 . . . . 0.0 112.396 177.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -69.1 149.28 97.72 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 123.995 0.918 . . . . 0.0 111.81 173.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.4 157.04 63.48 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.31 2.673 . . . . 0.0 112.744 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 81.8 t80 . . . . . 0 C--O 1.255 1.35 0 C-N-CA 125.192 1.397 . . . . 0.0 112.529 176.322 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.986 -0.446 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 t -153.38 153.21 32.12 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.184 1.394 . . . . 0.0 111.629 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -152.66 164.28 38.03 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.479 1.512 . . . . 0.0 111.75 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -59.43 139.62 56.91 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.014 1.326 . . . . 0.0 112.252 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.97 161.76 41.26 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.352 1.461 . . . . 0.0 111.817 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -151.02 154.01 36.22 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.135 1.374 . . . . 0.0 111.937 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.1 ttm -66.57 -29.34 69.39 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.494 1.118 . . . . 0.0 112.529 172.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -153.94 121.53 5.88 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.164 1.385 . . . . 0.0 111.153 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -79.31 147.33 32.51 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.815 0.846 . . . . 0.0 111.827 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.57 -9.09 59.79 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -63.58 134.8 56.15 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.046 1.338 . . . . 0.0 112.719 -174.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -75.12 166.4 23.7 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.091 1.356 . . . . 0.0 112.527 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -68.39 -22.84 64.61 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -177.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.4 m80 49.2 51.23 16.64 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.365 1.466 . . . . 0.0 113.173 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -56.13 138.31 49.97 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.461 1.104 . . . . 0.0 113.438 -174.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -102.59 27.93 6.47 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.704 1.601 . . . . 0.0 112.099 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.3 tp -77.98 51.73 0.99 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.031 2.133 . . . . 0.0 113.959 -166.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -71.6 -42.4 67.75 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -169.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -122.45 -15.63 7.54 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -162.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -58.73 -42.2 88.22 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.289 1.404 . . . . 0.0 111.247 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -63.29 -28.33 69.95 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.427 1.491 . . . . 0.0 113.96 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.67 -46.29 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 118.892 0.769 . . . . 0.0 110.77 171.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -66.39 -32.52 73.96 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 pp -72.45 -45.54 59.11 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.017 0.826 . . . . 0.0 111.452 169.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -62.62 -42.58 99.67 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.975 0.91 . . . . 0.0 112.888 -171.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.2 p -62.16 -33.04 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.604 0.762 . . . . 0.0 112.932 -176.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -104.45 -29.51 10.65 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.94 -32.51 69.65 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.696 1.134 . . . . 0.0 113.46 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -66.16 -34.96 79.23 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 172.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -83.73 -34.92 24.76 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.132 1.373 . . . . 0.0 112.809 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.87 -15.09 58.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.991 1.317 . . . . 0.0 112.752 172.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m120 59.46 50.66 7.3 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 127.599 2.36 . . . . 0.0 113.231 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.4 mm -64.24 160.88 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.31 0.644 . . . . 0.0 109.676 164.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.8 m -76.27 112.38 20.73 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 124.897 1.279 . . . . 0.0 112.992 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -74.61 -22.47 15.71 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 123.238 2.625 . . . . 0.0 113.456 170.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.48 -38.2 83.5 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.394 0.677 . . . . 0.0 112.515 -169.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -56.53 -43.55 79.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.287 1.035 . . . . 0.0 111.993 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.512 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.0 mp -72.43 -51.84 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.225 0 C-N-CA 123.943 0.897 . . . . 0.0 109.453 176.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -56.81 -33.08 66.37 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.288 1.035 . . . . 0.0 112.919 -175.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -86.23 -43.34 13.05 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.354 1.462 . . . . 0.0 114.038 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.78 -37.18 85.66 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.516 1.053 . . . . 0.0 111.697 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.4 tp -55.41 -24.94 32.91 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.876 2.07 . . . . 0.0 114.994 170.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -75.54 -35.13 60.76 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.3 0.955 . . . . 0.0 112.451 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.2 tp -79.72 -43.14 23.18 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.862 1.265 . . . . 0.0 112.409 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.33 109.85 4.36 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.424 1.09 . . . . 0.0 111.981 -166.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -81.04 -62.28 1.71 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.405 0.682 . . . . 0.0 111.338 167.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 mttp 56.66 -38.79 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 129.505 3.122 . . . . 0.0 116.969 -172.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.1 m -64.12 155.78 30.44 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.433 1.493 . . . . 0.0 112.841 173.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.27 160.04 41.05 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.096 1.358 . . . . 0.0 112.361 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -148.14 145.86 21.84 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 125.771 1.629 . . . . 0.0 111.205 -175.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -74.65 -41.89 0.7 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.021 2.481 . . . . 0.0 113.509 -174.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -87.72 166.96 36.3 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.158 1.361 . . . . 0.0 113.849 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -74.93 82.02 2.07 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 124.198 3.265 . . . . 0.0 111.453 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.5 -32.04 69.38 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 121.307 -0.871 . . . . 0.0 112.786 175.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.85 170.49 16.51 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.139 1.375 . . . . 0.0 112.439 170.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -67.49 -6.59 20.34 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.5 t -67.4 167.29 12.89 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.091 1.357 . . . . 0.0 113.135 177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -67.78 163.94 20.63 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.804 1.242 . . . . 0.0 113.269 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 84.8 m -65.94 147.01 54.04 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.95 0.9 . . . . 0.0 110.87 172.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.0 p -59.26 143.43 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.27 1.028 . . . . 0.0 112.127 177.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 65.0 t30 50.85 60.29 14.97 Favored Pre-proline 0 CA--C 1.557 1.248 0 C-N-CA 125.704 1.602 . . . . 0.0 113.428 -175.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -68.28 158.28 58.23 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 123.58 2.853 . . . . 0.0 112.946 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 125.166 1.386 . . . . 0.0 113.11 176.691 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -78.48 54.19 1.41 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.832 1.653 . . . . 0.0 113.391 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -67.38 151.3 47.67 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.678 1.191 . . . . 0.0 112.985 -177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 59.2 tpp -67.31 -28.77 68.27 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.254 1.022 . . . . 0.0 113.192 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -149.71 165.07 33.49 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.729 1.612 . . . . 0.0 112.012 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -151.22 149.1 29.03 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.607 1.563 . . . . 0.0 111.132 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -62.29 -16.48 54.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.176 0.991 . . . . 0.0 113.566 174.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -73.61 -22.9 59.88 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.199 1.4 . . . . 0.0 113.11 173.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -72.45 156.91 38.55 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.254 1.022 . . . . 0.0 112.447 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.41 150.49 33.6 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.096 1.358 . . . . 0.0 111.832 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -153.79 151.25 29.35 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.092 1.757 . . . . 0.0 110.887 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -134.76 151.44 50.97 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.493 1.517 . . . . 0.0 111.019 175.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -81.35 6.65 13.73 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.479 1.112 . . . . 0.0 113.683 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -76.97 52.43 0.87 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.59 1.956 . . . . 0.0 112.712 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -66.26 157.27 31.95 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.324 1.45 . . . . 0.0 113.215 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -148.55 151.82 35.75 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.735 1.614 . . . . 0.0 111.161 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -132.8 147.24 52.31 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.331 1.452 . . . . 0.0 112.264 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -156.29 163.82 39.07 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.271 1.429 . . . . 0.0 111.467 -176.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 60.85 -39.6 0.1 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 129.573 3.149 . . . . 0.0 116.808 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.98 -42.59 63.05 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 120.533 1.515 . . . . 0.0 111.66 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -61.38 -29.48 69.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.165 1.386 . . . . 0.0 114.388 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 61.1 t -79.74 -44.22 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 CA-C-N 119.106 0.866 . . . . 0.0 110.859 173.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.79 -42.55 97.7 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.372 0.669 . . . . 0.0 112.459 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.56 -38.96 77.65 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.599 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -51.02 68.91 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.771 1.169 . . . . 0.0 113.36 -169.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.42 -37.01 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 O-C-N 122.101 -0.374 . . . . 0.0 111.79 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -74.74 -38.85 62.15 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.032 0.933 . . . . 0.0 112.455 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.53 -34.26 76.74 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.609 1.164 . . . . 0.0 113.037 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -63.47 -44.97 92.9 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.316 1.046 . . . . 0.0 111.631 169.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -68.51 -40.27 80.91 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.789 0.836 . . . . 0.0 112.867 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.72 -12.74 55.41 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.197 1.399 . . . . 0.0 114.327 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 m120 56.25 57.22 5.14 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.537 1.935 . . . . 0.0 113.717 -173.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 37.3 mm -65.23 164.19 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 121.586 -0.696 . . . . 0.0 109.45 158.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 74.9 m -77.33 110.33 12.09 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.936 1.294 . . . . 0.0 113.053 174.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.8 -21.26 18.99 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.482 2.788 . . . . 0.0 112.963 169.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -56.45 -37.19 69.95 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.012 0.925 . . . . 0.0 111.669 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -59.16 -40.49 85.74 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.172 0.989 . . . . 0.0 112.532 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.437 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.3 mp -76.39 -45.21 34.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 123.924 0.89 . . . . 0.0 110.099 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -60.85 -44.15 97.39 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.724 0.81 . . . . 0.0 112.618 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -71.04 -35.0 71.81 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.113 0.869 . . . . 0.0 113.03 178.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.8 -53.27 56.83 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.223 1.009 . . . . 0.0 109.634 170.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 65.4 tp -55.85 -34.02 65.06 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.06 1.744 . . . . 0.0 114.721 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.07 -31.56 72.79 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.122 0.873 . . . . 0.0 113.14 175.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 86.8 mt -88.95 -50.81 5.96 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.634 1.174 . . . . 0.0 111.37 174.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -77.68 59.3 1.97 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.739 2.416 . . . . 0.0 110.086 172.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -77.84 40.71 0.32 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.849 1.66 . . . . 0.0 112.807 -176.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -84.71 168.01 15.62 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.512 2.325 . . . . 0.0 112.843 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 88.3 p -155.55 164.65 38.37 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.021 1.728 . . . . 0.0 111.068 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.73 142.65 56.21 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.555 0.742 . . . . 0.0 112.465 177.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -73.51 148.29 87.85 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 123.934 0.894 . . . . 0.0 112.618 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.32 172.97 13.84 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 123.628 2.885 . . . . 0.0 113.02 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -77.24 -133.89 0.63 Allowed Glycine 0 CA--C 1.544 1.902 0 C-N-CA 125.709 1.624 . . . . 0.0 113.4 173.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -56.7 -14.49 13.58 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.07 3.18 . . . . 0.0 116.526 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.26 -12.74 61.51 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.656 1.183 . . . . 0.0 114.108 170.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.42 -10.06 52.67 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.044 1.337 . . . . 0.0 114.587 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -59.57 159.44 8.39 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.848 1.659 . . . . 0.0 113.932 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.4 p -69.93 -17.45 63.32 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -175.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -146.5 125.4 12.73 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.99 1.316 . . . . 0.0 111.44 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 43.0 p -68.69 -35.28 76.98 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 121.328 -0.857 . . . . 0.0 112.472 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 35.9 m -135.89 165.16 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 127.15 2.18 . . . . 0.0 110.528 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -55.92 126.76 66.98 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 123.73 0.812 . . . . 0.0 111.737 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -59.93 148.11 90.06 Favored 'Trans proline' 0 C--N 1.352 0.762 0 C-N-CA 123.221 2.614 . . . . 0.0 114.921 -175.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.533 1.533 . . . . 0.0 113.24 179.215 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.116 -0.394 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -66.91 155.7 37.74 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.472 1.109 . . . . 0.0 112.903 177.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 58.39 18.99 6.0 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.134 1.774 . . . . 0.0 115.437 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.1 tpt -68.2 143.87 55.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.589 1.156 . . . . 0.0 112.285 177.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.19 149.59 50.26 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.448 1.099 . . . . 0.0 113.035 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 m -71.8 -20.78 61.8 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 73.7 mtm 54.11 29.5 10.48 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.468 1.907 . . . . 0.0 114.436 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -69.74 157.82 36.59 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.328 1.451 . . . . 0.0 113.283 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -70.03 160.25 32.32 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.21 1.004 . . . . 0.0 112.602 174.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.52 157.98 30.83 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 124.285 1.034 . . . . 0.0 113.17 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -67.71 169.33 9.7 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.027 1.331 . . . . 0.0 113.683 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -66.5 143.74 56.89 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.614 0.766 . . . . 0.0 111.604 165.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -103.83 21.89 15.47 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -170.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -72.68 151.44 42.23 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.979 0.912 . . . . 0.0 112.281 172.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -144.33 167.32 22.74 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.429 1.492 . . . . 0.0 112.249 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -144.28 153.98 42.6 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.243 1.817 . . . . 0.0 109.698 167.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 tt -146.25 124.69 12.37 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.689 0.796 . . . . 0.0 111.167 -172.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -77.76 102.1 7.01 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.549 1.14 . . . . 0.0 113.191 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 62.45 -17.4 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 118.707 2.855 . . . . 0.0 118.707 161.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -51.84 -49.18 63.36 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 120.963 1.71 . . . . 0.0 111.398 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -56.64 -31.97 64.87 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.663 1.585 . . . . 0.0 114.587 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.9 t -81.47 -43.13 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 C-N-CA 123.094 0.558 . . . . 0.0 111.578 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -64.65 -40.81 96.08 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.218 0.532 . . . . 0.0 111.033 171.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tt -58.31 -51.67 68.8 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.249 1.819 . . . . 0.0 111.715 175.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -62.28 -33.97 75.66 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.617 1.099 . . . . 0.0 113.132 -172.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.8 t -72.37 -48.8 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.622 0.769 . . . . 0.0 111.362 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -73.32 -37.5 66.14 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.646 -0.659 . . . . 0.0 112.363 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.34 -31.1 69.32 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.192 0.997 . . . . 0.0 113.351 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.4 -40.61 93.63 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.937 1.295 . . . . 0.0 112.473 169.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -69.89 -42.15 73.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.259 0.623 . . . . 0.0 112.296 173.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.9 -16.68 49.8 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 115.416 1.635 . . . . 0.0 115.416 -176.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 57.34 71.24 0.59 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.393 1.877 . . . . 0.0 113.187 -172.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.8 mm -105.25 69.75 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 125.123 1.369 . . . . 0.0 111.648 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.3 m 45.46 62.37 10.87 Favored Pre-proline 0 CA--C 1.554 1.097 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 162.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -58.08 -22.87 58.02 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 123.692 2.928 . . . . 0.0 114.042 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -56.83 -35.03 68.34 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.375 1.07 . . . . 0.0 113.03 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -58.38 -38.67 77.77 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.301 0.955 . . . . 0.0 112.13 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.414 HD12 ' H ' ' A' ' 38' ' ' ILE . 3.9 mp -82.38 -48.39 18.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 125.241 1.416 . . . . 0.0 109.898 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -59.67 -36.57 76.7 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.076 0.95 . . . . 0.0 112.845 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -76.24 -42.05 47.09 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.36 1.064 . . . . 0.0 112.733 174.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -67.07 -35.94 80.93 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.506 0.594 . . . . 0.0 111.135 -176.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.8 mt -54.65 -25.36 26.33 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 170.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.5 mt -76.11 -32.69 59.31 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.54 1.064 . . . . 0.0 112.662 175.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.6 tp -89.07 -35.79 16.13 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.738 1.615 . . . . 0.0 113.203 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -62.97 112.18 2.48 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.905 1.282 . . . . 0.0 113.03 -162.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -77.63 -0.73 27.7 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.342 1.608 . . . . 0.0 115.342 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -60.44 155.69 17.71 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 119.731 1.151 . . . . 0.0 111.456 172.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.8 m 60.21 11.83 3.0 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.207 1.803 . . . . 0.0 115.58 -156.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 53.57 34.92 19.64 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.51 1.924 . . . . 0.0 115.703 165.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -66.28 142.25 97.72 Favored Pre-proline 0 CA--C 1.552 1.022 0 O-C-N 121.294 -0.879 . . . . 0.0 112.242 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -72.27 164.06 36.78 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 123.608 2.872 . . . . 0.0 112.955 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.95 149.85 45.14 Favored Glycine 0 CA--C 1.542 1.749 0 C-N-CA 123.576 0.608 . . . . 0.0 113.012 172.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -67.01 141.2 57.13 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.293 2.662 . . . . 0.0 112.236 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 54.64 23.71 4.93 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.125 1.77 . . . . 0.0 115.674 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.43 143.9 56.83 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.129 -0.982 . . . . 0.0 112.665 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -142.92 157.41 44.6 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 126.431 1.892 . . . . 0.0 111.753 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -78.03 142.71 38.04 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.152 0.981 . . . . 0.0 111.686 172.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -142.69 158.67 43.42 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.902 1.681 . . . . 0.0 111.727 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.5 t -151.91 155.74 38.7 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.85 1.26 . . . . 0.0 112.044 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.4 m -78.56 -13.43 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.841 1.256 . . . . 0.0 113.303 172.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -68.91 153.54 95.93 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 124.111 0.964 . . . . 0.0 112.958 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -60.38 159.58 26.68 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 123.722 2.948 . . . . 0.0 114.672 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 127.04 2.136 . . . . 0.0 113.762 176.033 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 112.109 -0.396 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.5 t -153.62 159.46 42.12 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.276 1.43 . . . . 0.0 111.448 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -68.69 136.51 53.02 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.096 0.959 . . . . 0.0 112.368 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 94.1 mtp -88.16 -2.87 58.86 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.838 1.255 . . . . 0.0 114.373 -173.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.02 176.35 9.36 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.881 1.672 . . . . 0.0 111.978 -175.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t -141.66 153.66 44.85 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.529 1.532 . . . . 0.0 111.662 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 64.4 ttp -67.51 -29.97 69.52 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.604 1.161 . . . . 0.0 112.965 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -64.56 118.17 8.43 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.299 1.04 . . . . 0.0 111.188 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -145.96 -14.25 0.47 Allowed 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -174.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.54 145.36 47.5 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.889 0.876 . . . . 0.0 113.051 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -155.72 148.7 24.39 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.884 1.673 . . . . 0.0 111.103 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -116.17 150.64 37.11 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.24 1.416 . . . . 0.0 111.283 168.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -77.66 142.83 38.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.986 0.914 . . . . 0.0 112.776 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 43.5 m170 -80.81 -19.82 43.85 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -75.22 143.2 43.25 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -162.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.07 -6.76 1.62 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.198 1.799 . . . . 0.0 113.898 175.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 48.4 tp -59.3 -26.0 64.6 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.846 1.658 . . . . 0.0 113.48 -178.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -58.01 -24.84 59.89 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.466 1.507 . . . . 0.0 113.885 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -95.66 -17.71 21.1 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.48 1.112 . . . . 0.0 113.546 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -61.04 -44.34 97.54 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.363 0.983 . . . . 0.0 110.241 172.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -62.9 -38.74 92.17 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.774 1.229 . . . . 0.0 114.315 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 8.6 m -76.48 -31.8 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.329 0.968 . . . . 0.0 112.067 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -72.89 -44.78 60.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.771 0.829 . . . . 0.0 112.265 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 pp -66.64 -37.03 83.97 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.685 177.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -58.73 -51.65 69.05 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.464 1.029 . . . . 0.0 112.782 -171.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.43 -44.65 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 123.482 0.713 . . . . 0.0 111.189 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -67.16 -40.63 86.68 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.31 0.644 . . . . 0.0 112.116 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.95 -33.92 75.59 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.467 1.107 . . . . 0.0 113.615 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -69.85 -41.16 75.26 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.91 1.284 . . . . 0.0 112.254 172.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -70.03 -45.69 66.63 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.755 0.822 . . . . 0.0 112.447 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.85 -0.76 57.81 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.07 1.348 . . . . 0.0 114.507 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 60.7 t30 54.72 56.82 6.29 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.836 1.655 . . . . 0.0 113.998 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 45.0 mm -65.93 167.87 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 158.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -67.83 118.85 61.89 Favored Pre-proline 0 N--CA 1.475 0.786 0 O-C-N 120.487 -1.383 . . . . 0.0 112.426 170.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -84.25 -28.58 1.12 Allowed 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.564 2.176 . . . . 0.0 111.838 160.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.74 -34.33 76.97 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 121.218 -0.926 . . . . 0.0 112.043 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -56.68 -38.18 71.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.372 0.669 . . . . 0.0 112.558 174.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -79.52 -51.16 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 C-N-CA 124.559 1.143 . . . . 0.0 110.845 174.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -61.0 -36.5 79.64 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.998 0.817 . . . . 0.0 113.159 -175.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 9.7 pttm -71.8 -37.8 70.35 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 119.341 0.973 . . . . 0.0 112.832 175.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -67.4 -45.73 75.3 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.612 1.565 . . . . 0.0 110.238 176.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 46.3 tp -52.88 -47.29 67.99 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.237 1.815 . . . . 0.0 113.318 173.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.3 mt -62.97 -25.24 68.27 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 90.0 mt -93.4 -17.54 23.39 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.611 1.564 . . . . 0.0 113.908 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -143.8 31.97 1.28 Allowed 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.892 1.442 . . . . 0.0 114.892 -159.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -61.88 -32.27 72.62 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.175 -0.953 . . . . 0.0 113.282 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . 0.27 23.0 pttm 45.96 -146.63 0.15 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 128.238 2.615 . . . . 0.0 114.522 166.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.5 m 53.69 39.9 30.79 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.557 1.543 . . . . 0.0 114.329 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 55.48 38.11 29.81 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.018 1.727 . . . . 0.0 114.638 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -55.1 136.38 67.59 Favored Pre-proline 0 CA--C 1.55 0.98 0 C-N-CA 124.379 1.072 . . . . 0.0 111.832 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -65.89 159.43 48.97 Favored 'Trans proline' 0 CA--C 1.539 0.746 0 C-N-CA 123.383 2.722 . . . . 0.0 113.522 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.36 -77.72 0.24 Allowed Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.52 1.533 . . . . 0.0 111.753 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -61.6 156.14 49.2 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.83 3.02 . . . . 0.0 114.02 176.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . 52.97 41.42 32.09 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.743 1.617 . . . . 0.0 114.705 172.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.63 148.07 43.72 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.361 1.065 . . . . 0.0 112.973 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -119.31 19.75 12.71 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.735 1.614 . . . . 0.0 113.93 -170.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.3 m -59.64 141.52 54.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.19 1.396 . . . . 0.0 113.022 -177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -70.72 153.28 42.95 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.258 1.023 . . . . 0.0 112.828 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 33.2 p -69.83 141.44 53.28 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.362 1.065 . . . . 0.0 112.111 174.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 67.4 t -76.67 134.03 29.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.329 1.052 . . . . 0.0 110.621 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -71.55 147.66 92.5 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 123.845 0.858 . . . . 0.0 112.548 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.33 152.5 79.04 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.335 2.69 . . . . 0.0 112.747 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 81.1 t80 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.234 1.414 . . . . 0.0 112.573 176.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -68.99 149.76 48.44 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.952 0.901 . . . . 0.0 112.65 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -73.64 105.76 5.1 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.012 0.925 . . . . 0.0 110.925 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 99.6 mmm -74.87 154.06 38.39 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.434 1.093 . . . . 0.0 112.822 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.77 -19.84 64.38 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 m -73.57 -17.3 61.2 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.13 1.372 . . . . 0.0 114.072 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 65.6 mtt -78.72 146.91 33.66 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.542 1.137 . . . . 0.0 111.781 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.3 mtmt -59.28 -29.87 67.9 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.968 1.469 . . . . 0.0 114.968 -166.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -73.86 -9.47 58.68 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.62 -6.98 44.92 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -138.66 165.17 27.62 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.021 1.728 . . . . 0.0 112.537 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -146.76 36.22 0.95 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.409 1.484 . . . . 0.0 112.281 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 53.73 51.21 15.41 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.395 1.878 . . . . 0.0 114.362 174.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -67.5 137.99 56.21 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.261 -0.899 . . . . 0.0 111.963 168.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -157.99 160.9 37.99 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.113 1.765 . . . . 0.0 111.244 172.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.2 mp0 -74.79 -24.07 58.6 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.921 1.288 . . . . 0.0 113.761 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.97 161.77 23.48 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.668 1.987 . . . . 0.0 112.114 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -75.54 165.2 25.46 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 130.1 3.36 . . . . 0.0 114.915 2.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 61.93 -1.22 0.38 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 117.91 2.559 . . . . 0.0 117.91 169.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -52.74 -53.52 46.74 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.07 1.305 . . . . 0.0 110.818 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -59.78 -32.24 70.42 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.531 1.532 . . . . 0.0 115.078 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -76.73 -47.28 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 119.153 0.888 . . . . 0.0 111.485 -174.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -66.3 -42.95 87.59 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.935 -0.478 . . . . 0.0 111.043 173.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tt -53.82 -49.24 68.81 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.5 1.52 . . . . 0.0 111.583 174.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -58.98 -48.08 82.82 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.821 0.849 . . . . 0.0 112.26 -177.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.89 -49.24 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 123.61 0.764 . . . . 0.0 111.219 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -65.7 -38.24 88.67 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.631 -0.668 . . . . 0.0 112.514 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.9 -33.57 72.36 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -63.24 -48.75 76.91 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.766 0.826 . . . . 0.0 111.173 168.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -65.74 -36.01 82.37 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.62 -18.18 45.6 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 177.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 50.13 62.61 2.58 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.693 1.597 . . . . 0.0 111.813 -164.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.9 mm -67.61 171.61 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 155.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.7 m -82.59 106.24 6.35 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 125.752 1.621 . . . . 0.0 113.693 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.72 -30.24 9.75 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.346 2.698 . . . . 0.0 114.284 174.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -63.66 -28.39 69.87 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.679 -0.638 . . . . 0.0 112.235 -173.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.46 -40.59 91.77 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.71 1.204 . . . . 0.0 112.46 173.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mp -74.84 -46.43 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 C-N-CA 123.32 0.648 . . . . 0.0 110.116 174.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 ttp85 -55.43 -49.65 71.86 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 118.689 0.677 . . . . 0.0 112.597 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -65.82 -38.06 87.92 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.34 0.973 . . . . 0.0 112.753 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -66.43 -49.29 67.23 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.05 0.94 . . . . 0.0 110.437 176.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -55.2 -48.68 73.49 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.756 1.222 . . . . 0.0 112.715 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.01 -30.98 71.61 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.6 tp -71.59 -47.95 51.43 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.763 0.71 . . . . 0.0 111.582 169.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -84.65 53.22 2.61 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.909 1.284 . . . . 0.0 112.709 -165.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -73.18 59.93 0.56 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.747 2.019 . . . . 0.0 111.427 175.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -69.39 160.14 31.88 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 128.431 2.692 . . . . 0.0 113.946 -172.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t -154.23 159.76 41.49 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.799 1.64 . . . . 0.0 111.231 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.6 -26.01 66.89 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.275 1.03 . . . . 0.0 113.553 177.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -156.34 156.38 30.12 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 125.44 1.496 . . . . 0.0 111.443 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -68.31 166.19 26.2 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.242 2.628 . . . . 0.0 112.126 169.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -68.35 150.35 50.81 Favored Glycine 0 CA--C 1.544 1.849 0 O-C-N 121.647 -0.658 . . . . 0.0 113.069 173.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -70.09 139.55 39.36 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.422 2.748 . . . . 0.0 112.618 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 59.22 166.74 0.06 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 127.447 2.299 . . . . 0.0 116.006 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.83 144.61 43.38 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.222 -0.924 . . . . 0.0 111.984 173.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -74.05 135.29 43.03 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.347 1.059 . . . . 0.0 111.374 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.9 p -74.59 48.52 0.36 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.591 1.956 . . . . 0.0 112.951 173.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -72.25 -15.89 61.92 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.223 1.809 . . . . 0.0 114.754 -170.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.9 t -153.83 158.97 41.63 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.912 1.285 . . . . 0.0 111.939 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.0 p -74.77 150.66 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.012 1.325 . . . . 0.0 111.954 177.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -65.44 150.66 95.6 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 123.675 0.79 . . . . 0.0 112.311 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -70.86 149.47 59.94 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.181 2.587 . . . . 0.0 112.232 173.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 C--O 1.253 1.272 0 C-N-CA 126.417 1.887 . . . . 0.0 111.609 177.518 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.718 -0.553 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -70.11 159.35 34.05 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.635 1.174 . . . . 0.0 112.903 176.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -155.29 154.23 31.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.968 1.307 . . . . 0.0 112.636 -176.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 97.0 mtp -64.38 -12.56 43.91 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.944 1.298 . . . . 0.0 114.435 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.36 -17.18 64.62 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 170.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -78.51 -1.32 33.28 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 21.3 ptp -149.22 164.21 35.43 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.267 1.427 . . . . 0.0 112.316 -169.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -72.94 142.19 47.83 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.821 0.849 . . . . 0.0 110.983 170.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -125.23 10.61 8.08 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.062 1.345 . . . . 0.0 113.696 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.01 163.77 27.29 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.961 1.304 . . . . 0.0 113.209 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -148.26 166.6 27.49 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.895 1.678 . . . . 0.0 112.253 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -73.03 122.8 22.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 122.777 0.431 . . . . 0.0 110.415 164.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -77.64 -17.08 58.1 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -149.37 126.73 11.48 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.658 1.983 . . . . 0.0 109.436 173.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -78.15 136.95 37.94 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.076 0.55 . . . . 0.0 112.286 -171.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -77.04 126.57 31.18 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.602 0.761 . . . . 0.0 112.217 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 55.1 tp 58.97 -50.99 0.06 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 129.608 3.163 . . . . 0.0 117.262 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -69.75 152.37 44.71 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.485 1.114 . . . . 0.0 112.837 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 59.05 -27.39 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.893 2.877 . . . . 0.0 116.024 -172.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -53.47 -44.03 68.62 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.204 1.365 . . . . 0.0 111.42 174.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -63.58 -29.62 70.85 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.622 1.169 . . . . 0.0 113.97 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.2 t -77.54 -45.62 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.921 0.782 . . . . 0.0 110.778 171.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -63.71 -38.33 90.72 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.382 1.473 . . . . 0.0 112.887 -176.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 pp -69.86 -47.69 61.68 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.913 -0.492 . . . . 0.0 110.842 170.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 16.1 tmm? -66.85 -41.15 87.85 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.031 0.832 . . . . 0.0 113.035 -168.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.52 -33.73 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -91.06 -41.31 11.14 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.987 0.915 . . . . 0.0 113.094 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -28.92 70.4 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.554 1.142 . . . . 0.0 113.718 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -65.61 -33.53 76.12 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.056 1.342 . . . . 0.0 113.078 171.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -80.7 -39.24 27.49 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.44 0.696 . . . . 0.0 112.097 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.51 -14.3 57.1 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 58.33 51.72 8.04 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.437 1.895 . . . . 0.0 114.021 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 37.7 mm -76.27 67.3 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.621 1.168 . . . . 0.0 111.787 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 25.1 m 47.61 59.91 15.96 Favored Pre-proline 0 CA--C 1.55 0.943 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -61.14 -22.94 76.21 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.069 2.513 . . . . 0.0 113.356 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -56.58 -34.3 67.02 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.515 -0.74 . . . . 0.0 111.998 173.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.59 -43.83 96.94 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 119.232 0.924 . . . . 0.0 111.871 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.409 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.4 mp -73.72 -43.08 54.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 123.302 0.641 . . . . 0.0 110.185 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 50.8 ttp85 -61.59 -44.79 96.36 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -68.61 -33.75 74.57 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.976 1.262 . . . . 0.0 112.531 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -49.65 75.2 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.497 0.719 . . . . 0.0 110.594 169.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 50.1 mt -53.54 -45.8 69.95 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 120.259 1.391 . . . . 0.0 113.177 172.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.23 -24.75 66.66 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.575 1.15 . . . . 0.0 113.969 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 84.3 mt -85.32 -37.46 19.92 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.362 1.065 . . . . 0.0 112.55 169.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -65.83 -39.07 90.48 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.838 1.655 . . . . 0.0 113.367 -176.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? 50.36 40.52 22.91 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.484 1.514 . . . . 0.0 114.616 168.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 168.91 3.21 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.811 1.644 . . . . 0.0 114.265 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.2 t -148.1 162.33 39.62 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.846 1.659 . . . . 0.0 111.014 174.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.28 142.58 58.33 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.193 0.997 . . . . 0.0 112.794 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -69.56 134.17 88.65 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 123.738 0.815 . . . . 0.0 111.311 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.55 152.67 70.42 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 123.145 2.563 . . . . 0.0 113.089 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.47 164.41 29.93 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.587 1.089 . . . . 0.0 113.158 176.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -67.17 -20.56 49.63 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.704 2.936 . . . . 0.0 114.004 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.34 -18.99 60.62 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 176.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.75 137.4 43.94 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.701 0.8 . . . . 0.0 112.287 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -155.81 157.87 37.17 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.319 1.447 . . . . 0.0 111.608 178.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.8 t -69.43 177.25 2.96 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.173 0.989 . . . . 0.0 112.262 171.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -66.5 -32.16 73.34 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.195 -0.94 . . . . 0.0 112.1 170.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 5.4 t -77.51 157.79 30.23 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.964 1.306 . . . . 0.0 111.358 165.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.22 -21.78 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.28 1.032 . . . . 0.0 112.747 171.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -63.57 145.33 97.42 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 124.36 1.064 . . . . 0.0 111.626 175.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -63.84 167.54 13.62 Favored 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 122.55 2.167 . . . . 0.0 112.262 167.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.074 1.35 . . . . 0.0 113.342 179.026 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -72.58 -16.95 61.74 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 -172.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 67.2 m80 54.75 29.81 12.44 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.628 1.571 . . . . 0.0 114.192 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 54.5 tpp -69.38 145.25 53.05 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.713 1.205 . . . . 0.0 111.98 178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.83 153.17 37.72 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.888 1.275 . . . . 0.0 112.285 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -81.82 -1.68 48.31 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.592 1.557 . . . . 0.0 114.564 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 76.8 mtm -63.04 141.02 58.92 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.899 1.279 . . . . 0.0 113.104 -175.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -71.92 144.18 49.05 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.067 1.347 . . . . 0.0 111.757 177.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -69.91 156.5 38.99 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.258 1.023 . . . . 0.0 112.766 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.46 155.95 41.22 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.293 1.437 . . . . 0.0 111.972 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -68.79 140.58 55.3 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.545 1.138 . . . . 0.0 112.445 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -68.75 161.73 27.73 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.347 1.459 . . . . 0.0 112.364 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.1 mp0 -71.57 13.98 0.22 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 126.126 1.77 . . . . 0.0 113.781 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -69.01 -31.6 70.54 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.4 1.48 . . . . 0.0 112.03 174.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 50.32 36.5 13.03 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.271 1.429 . . . . 0.0 112.458 -170.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -60.97 139.52 58.01 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.236 1.414 . . . . 0.0 111.955 -175.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -148.85 151.48 34.8 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.618 1.567 . . . . 0.0 110.56 -176.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -162.61 -58.63 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.986 1.315 . . . . 0.0 112.261 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -69.76 -32.72 71.39 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -167.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.59 -42.3 98.29 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.609 1.095 . . . . 0.0 110.645 171.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -69.05 -37.84 78.78 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.925 1.29 . . . . 0.0 113.722 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.1 m -73.89 -33.21 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-N 119.809 1.186 . . . . 0.0 112.579 172.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -67.57 -48.6 66.43 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.677 0.671 . . . . 0.0 111.583 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.16 -36.21 82.5 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 118.021 -0.99 . . . . 0.0 111.999 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -33.79 76.82 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.482 1.492 . . . . 0.0 113.435 -171.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.1 t -74.67 -47.75 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.884 0.873 . . . . 0.0 110.715 177.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -67.53 -36.45 81.04 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.523 -0.736 . . . . 0.0 112.369 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.97 -31.55 68.14 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.416 1.087 . . . . 0.0 113.61 175.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -63.0 -48.93 76.69 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.314 1.046 . . . . 0.0 111.071 169.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -71.95 -35.9 69.72 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.62 -4.41 56.05 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.509 1.123 . . . . 0.0 113.418 172.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 47.68 56.19 7.44 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 127.118 2.167 . . . . 0.0 113.414 -179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.7 mm -72.2 173.39 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.943 1.297 . . . . 0.0 110.096 170.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.0 m -78.47 107.34 5.56 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 124.998 1.319 . . . . 0.0 113.225 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.09 -25.8 22.15 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 122.658 2.239 . . . . 0.0 112.654 166.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -58.09 -33.28 68.91 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.759 0.824 . . . . 0.0 112.104 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -57.07 -39.06 74.22 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.591 1.157 . . . . 0.0 112.428 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.449 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.0 mp -81.52 -45.38 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 125.098 1.359 . . . . 0.0 109.974 176.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -58.52 -39.87 81.32 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.635 1.174 . . . . 0.0 113.358 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -74.66 -38.12 62.52 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.466 1.106 . . . . 0.0 112.679 174.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -67.49 -36.33 80.89 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.952 1.301 . . . . 0.0 110.702 -177.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.7 mt -54.64 -25.65 28.07 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 170.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.3 mt -81.15 -36.84 29.73 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.42 1.009 . . . . 0.0 112.676 174.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.8 tp -80.43 -32.66 37.32 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.97 1.708 . . . . 0.0 113.686 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -65.07 118.54 9.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.38 1.072 . . . . 0.0 113.657 -161.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -117.02 18.78 14.55 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.316 1.846 . . . . 0.0 113.563 173.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.65 156.68 32.13 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.449 1.1 . . . . 0.0 112.267 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.7 t -71.09 133.76 46.5 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.443 0.697 . . . . 0.0 112.559 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -165.55 148.11 7.68 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.496 2.318 . . . . 0.0 109.396 170.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -144.18 144.38 25.79 Favored Pre-proline 0 CA--C 1.545 0.75 0 C-N-CA 124.057 0.943 . . . . 0.0 111.701 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.79 -26.22 16.12 Favored 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 123.136 2.558 . . . . 0.0 113.504 175.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.91 -122.22 23.69 Favored Glycine 0 CA--C 1.539 1.592 0 CA-C-O 118.638 -1.09 . . . . 0.0 110.864 -173.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -73.64 -11.3 24.12 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 123.534 2.823 . . . . 0.0 114.301 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.2 -17.18 63.15 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -173.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.12 -4.76 10.02 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -174.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.8 ttp180 -152.29 147.42 26.33 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.759 1.224 . . . . 0.0 111.7 -175.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.3 m -58.92 -26.72 64.6 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.306 1.442 . . . . 0.0 114.34 -175.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -122.87 144.84 48.94 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.207 1.403 . . . . 0.0 109.093 158.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.8 t -53.35 144.61 16.06 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -173.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.0 m -75.98 -5.41 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 123.995 0.918 . . . . 0.0 113.243 170.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -132.07 77.18 71.99 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 125.742 1.617 . . . . 0.0 110.767 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -60.41 147.22 94.85 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 123.645 2.897 . . . . 0.0 114.667 -175.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 37.8 p90 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 125.601 1.561 . . . . 0.0 113.223 174.005 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -153.65 160.28 42.33 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.949 1.3 . . . . 0.0 112.145 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -73.36 -23.45 60.2 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 55.8 ttm -155.22 122.07 5.41 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.786 1.634 . . . . 0.0 110.264 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.7 -35.06 70.11 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 44.3 t -159.22 145.85 16.79 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.415 1.486 . . . . 0.0 111.547 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 95.2 mtp -77.95 -10.81 59.77 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.59 1.156 . . . . 0.0 113.434 174.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -65.72 146.39 54.85 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.743 1.217 . . . . 0.0 112.368 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -65.17 159.16 24.15 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.584 1.154 . . . . 0.0 112.345 171.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.1 154.94 40.0 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.278 1.031 . . . . 0.0 112.902 176.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -62.01 132.6 53.46 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.199 1.0 . . . . 0.0 111.921 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -87.09 176.26 7.7 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.079 1.352 . . . . 0.0 112.507 177.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -71.24 -3.86 22.63 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.179 1.392 . . . . 0.0 114.683 -175.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -78.02 59.26 2.13 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.866 1.666 . . . . 0.0 112.604 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -62.76 149.64 43.44 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.575 1.15 . . . . 0.0 113.423 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -70.15 154.51 41.84 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.301 1.84 . . . . 0.0 114.506 -171.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.75 -25.47 68.21 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.557 1.543 . . . . 0.0 112.893 174.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -55.18 -45.25 75.76 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.389 1.476 . . . . 0.0 113.212 -169.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -74.1 -32.66 63.32 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.332 0.653 . . . . 0.0 112.689 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -62.18 -43.18 99.4 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.742 0.701 . . . . 0.0 110.937 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -64.86 -30.83 71.84 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 86.0 t -73.07 -47.77 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 119.039 0.836 . . . . 0.0 111.06 168.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -62.13 -43.86 97.9 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.918 0.887 . . . . 0.0 112.854 -174.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.27 -39.48 86.06 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.109 0.564 . . . . 0.0 111.685 174.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 15.8 tmm? -63.16 -46.26 87.97 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.782 0.833 . . . . 0.0 111.637 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 44.3 t -58.07 -39.56 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.037 0.935 . . . . 0.0 111.783 -177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -85.44 -43.49 13.57 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.69 -31.57 70.82 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 pttm -70.16 -30.05 67.1 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 175.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -81.91 -41.04 21.46 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.241 1.016 . . . . 0.0 111.752 171.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.64 -14.77 57.88 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.106 1.363 . . . . 0.0 113.795 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 60.0 t30 60.88 51.55 4.63 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.28 1.432 . . . . 0.0 113.29 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 41.9 mm -68.66 161.4 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 156.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 44.5 m -74.24 111.42 12.62 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.348 1.459 . . . . 0.0 113.449 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.91 -23.72 12.08 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.108 2.538 . . . . 0.0 113.219 169.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -60.53 -32.68 71.71 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.659 0.784 . . . . 0.0 112.039 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -58.21 -40.65 82.17 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.756 1.222 . . . . 0.0 112.103 174.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mp -78.33 -45.8 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 123.748 0.819 . . . . 0.0 110.408 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -59.53 -41.24 89.56 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -68.97 -39.2 79.57 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.472 1.033 . . . . 0.0 112.375 175.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.48 -47.07 74.24 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.405 1.082 . . . . 0.0 111.132 -178.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.65 -28.16 68.9 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.5 -1.375 . . . . 0.0 113.659 174.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.4 tp -71.4 -43.98 65.78 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.401 0.68 . . . . 0.0 112.077 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.68 -21.74 32.3 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -116.51 35.24 4.65 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.107 1.363 . . . . 0.0 114.018 -171.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -57.22 126.62 28.04 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 163.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 6.2 ptpp? -144.82 167.28 22.98 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.152 0.981 . . . . 0.0 113.479 -160.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m 59.99 -179.42 0.09 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.53 1.932 . . . . 0.0 115.004 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -142.42 162.29 35.86 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.966 1.707 . . . . 0.0 111.58 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -64.94 137.17 97.06 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 124.114 0.966 . . . . 0.0 111.945 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -68.2 167.27 22.48 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.72 2.947 . . . . 0.0 113.136 178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.5 -160.01 9.9 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.315 0.959 . . . . 0.0 113.402 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -67.12 156.34 66.76 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.84 2.36 . . . . 0.0 111.761 172.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.59 154.64 38.17 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.73 -0.606 . . . . 0.0 112.05 172.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.08 176.81 10.79 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.164 1.385 . . . . 0.0 112.307 -172.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -74.08 66.39 1.22 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.837 1.655 . . . . 0.0 111.913 175.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 29.0 t -150.31 149.96 30.83 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.066 1.747 . . . . 0.0 111.85 -177.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -75.51 -29.65 59.56 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.316 1.046 . . . . 0.0 113.049 174.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 67.2 p -103.8 -9.83 18.73 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -169.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.27 145.55 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.996 0.919 . . . . 0.0 111.881 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -69.61 150.83 96.75 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 123.448 0.699 . . . . 0.0 112.568 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.01 164.28 36.31 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.273 2.649 . . . . 0.0 111.606 165.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 . . . . . 0 C--O 1.254 1.326 0 C-N-CA 124.547 1.139 . . . . 0.0 112.911 173.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -66.05 154.0 40.71 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.681 1.192 . . . . 0.0 113.186 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -68.78 164.24 22.27 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.137 0.975 . . . . 0.0 112.53 173.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 50.4 tpp -62.6 149.08 44.25 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.071 0.948 . . . . 0.0 111.568 172.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.15 -21.3 64.93 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -75.66 -19.86 58.87 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.108 1.363 . . . . 0.0 114.144 174.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.8 tpp -84.67 144.01 28.84 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.841 1.256 . . . . 0.0 111.878 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -73.34 140.98 47.07 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.733 1.213 . . . . 0.0 111.755 176.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -68.0 143.88 55.39 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.019 0.928 . . . . 0.0 112.408 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.21 173.59 0.07 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.158 2.183 . . . . 0.0 115.238 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.38 135.65 54.63 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.221 1.008 . . . . 0.0 111.496 178.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -78.06 150.48 33.77 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.167 0.987 . . . . 0.0 112.267 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -75.3 -0.8 20.91 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.438 1.095 . . . . 0.0 113.686 174.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -75.05 55.98 0.75 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.692 1.997 . . . . 0.0 112.235 175.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -63.37 154.28 32.42 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.008 1.323 . . . . 0.0 113.187 -176.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -146.79 146.89 30.41 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.21 1.404 . . . . 0.0 111.396 -177.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -149.56 150.63 32.55 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.528 1.531 . . . . 0.0 111.03 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.423 ' HA ' ' HE3' ' B' ' 29' ' ' LYS . 49.5 t0 -146.22 -76.09 0.2 Allowed 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 176.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -91.87 -11.59 35.97 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 -165.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.7 -49.44 77.72 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.67 1.123 . . . . 0.0 110.166 174.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 34.7 m95 -60.85 -38.47 85.66 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.195 1.398 . . . . 0.0 114.153 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.6 p -76.11 -40.58 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.174 0.897 . . . . 0.0 112.766 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -71.53 -31.69 67.32 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.949 0.795 . . . . 0.0 111.919 175.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 tt -61.89 -55.19 32.31 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.942 1.697 . . . . 0.0 111.564 170.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -32.08 73.55 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -168.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 26.8 m -72.17 -31.65 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -89.72 -31.01 17.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.186 0.903 . . . . 0.0 112.94 172.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.25 -28.24 68.57 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.233 -0.917 . . . . 0.0 113.27 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -69.66 -34.03 73.41 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 168.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -73.73 -41.37 62.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.513 0.725 . . . . 0.0 111.249 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.82 -13.93 57.01 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.7 1.2 . . . . 0.0 114.23 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.5 t30 54.5 55.04 8.49 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.878 2.471 . . . . 0.0 114.24 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.1 mm -81.2 62.98 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.676 1.19 . . . . 0.0 112.522 -175.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 m 48.19 59.74 16.39 Favored Pre-proline 0 CA--C 1.551 1.019 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 167.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -57.15 -24.31 57.97 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 123.786 2.991 . . . . 0.0 114.182 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -56.49 -33.87 66.39 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.543 0.737 . . . . 0.0 111.947 175.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -60.6 -45.27 94.62 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.108 0.963 . . . . 0.0 111.913 177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.422 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.3 mp -71.83 -43.97 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 123.256 0.622 . . . . 0.0 109.913 178.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -54.74 -49.99 69.46 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.838 0.855 . . . . 0.0 112.119 176.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -74.44 -37.52 63.27 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.28 -38.06 86.9 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 118.738 -0.649 . . . . 0.0 111.582 174.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.27 -40.38 70.94 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 120.298 1.408 . . . . 0.0 113.143 175.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 mp -68.15 -32.36 72.56 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 174.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.0 tp -81.22 -34.18 32.39 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.089 1.356 . . . . 0.0 113.523 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -66.25 109.87 2.82 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.582 1.553 . . . . 0.0 112.619 -162.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -79.13 -6.84 57.45 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -169.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.2 mttp -55.93 -39.66 72.0 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.369 1.068 . . . . 0.0 113.428 -175.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.3 m -90.57 117.52 29.3 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.318 1.047 . . . . 0.0 111.092 171.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.06 138.16 43.82 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.578 0.751 . . . . 0.0 111.645 173.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -77.5 136.45 64.13 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 123.66 0.784 . . . . 0.0 111.12 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -66.98 158.0 58.93 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.158 2.572 . . . . 0.0 112.718 175.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.25 171.23 37.69 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 123.958 0.789 . . . . 0.0 114.208 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -71.06 165.81 31.19 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 124.143 3.229 . . . . 0.0 112.877 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.4 145.27 31.09 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.286 1.434 . . . . 0.0 111.793 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.17 137.96 53.75 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.868 0.867 . . . . 0.0 112.463 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.0 mpt_? -82.38 155.66 24.6 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.043 1.337 . . . . 0.0 111.567 174.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -153.36 153.17 32.06 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.321 1.448 . . . . 0.0 111.623 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -152.61 150.01 29.06 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.615 1.566 . . . . 0.0 111.643 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 13.0 t -153.86 160.7 42.28 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.357 1.463 . . . . 0.0 111.386 173.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.0 m -67.14 153.9 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.87 1.268 . . . . 0.0 112.891 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -66.68 146.3 99.05 Favored Pre-proline 0 CA--C 1.553 1.07 0 C-N-CA 123.866 0.867 . . . . 0.0 111.584 175.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -63.01 -17.94 62.71 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.166 2.577 . . . . 0.0 115.539 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 C--O 1.254 1.335 0 C-N-CA 126.536 1.934 . . . . 0.0 112.144 -179.375 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p -153.8 164.23 38.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.08 1.352 . . . . 0.0 111.748 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.25 128.41 33.9 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.47 0.708 . . . . 0.0 111.981 175.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 64.1 mtm 54.03 19.2 1.96 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.349 1.459 . . . . 0.0 114.56 -175.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 51.95 32.06 9.46 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 125.923 1.689 . . . . 0.0 113.724 -167.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -69.06 -31.71 70.66 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -170.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 26.2 mmt -73.79 145.9 44.66 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.734 0.814 . . . . 0.0 111.982 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -60.45 -24.42 65.21 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -174.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -71.4 -31.69 67.56 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.303 1.041 . . . . 0.0 113.165 173.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.12 -32.47 16.65 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.792 1.237 . . . . 0.0 112.974 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -61.56 153.76 26.73 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.989 1.715 . . . . 0.0 112.084 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -132.04 148.41 52.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.872 1.269 . . . . 0.0 110.988 164.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -93.17 13.65 20.44 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.831 1.252 . . . . 0.0 113.822 -175.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -143.5 151.62 40.49 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.854 1.262 . . . . 0.0 112.966 -171.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -156.37 164.24 38.52 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.622 1.969 . . . . 0.0 110.337 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -72.62 154.47 40.74 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -172.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.15 -35.28 62.07 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.933 1.693 . . . . 0.0 111.941 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -55.68 -35.59 66.17 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.83 1.652 . . . . 0.0 113.267 174.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -91.73 -27.11 18.26 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.97 1.308 . . . . 0.0 113.175 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -54.03 -48.69 70.24 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.738 1.153 . . . . 0.0 110.776 171.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 57.4 m95 -66.1 -26.11 67.31 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -77.75 -48.18 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.204 0.911 . . . . 0.0 110.896 171.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -68.82 -35.78 77.4 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.846 0.858 . . . . 0.0 112.654 -174.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.02 -43.19 83.45 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.573 0.624 . . . . 0.0 110.939 169.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 19.2 tmm? -64.95 -48.52 73.79 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.192 0.906 . . . . 0.0 112.378 -171.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 10.1 p -61.67 -34.48 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -80.17 -43.85 20.87 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.612 0.765 . . . . 0.0 112.557 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.28 75.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.891 1.276 . . . . 0.0 113.733 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.423 ' HE3' ' HA ' ' A' ' 18' ' ' ASP . 74.0 tttt -68.33 -41.01 81.39 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.336 1.454 . . . . 0.0 112.938 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -74.08 -42.41 60.19 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.291 0.636 . . . . 0.0 112.149 175.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.95 -9.58 59.82 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 55.93 62.96 2.18 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.605 1.562 . . . . 0.0 113.202 -176.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 37.5 mm -69.67 164.88 2.76 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.288 154.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.1 m -75.63 111.37 14.06 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.7 1.6 . . . . 0.0 113.1 174.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -76.43 -27.15 8.04 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.984 2.456 . . . . 0.0 112.363 167.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -59.91 -35.29 74.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.629 1.172 . . . . 0.0 113.397 -170.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -60.66 -40.66 92.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.157 0.983 . . . . 0.0 112.215 175.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 mp -77.75 -45.66 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 124.073 0.949 . . . . 0.0 110.717 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -56.59 -47.13 80.22 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.03 1.332 . . . . 0.0 112.336 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -68.46 -37.53 80.27 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -54.15 36.7 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.383 1.073 . . . . 0.0 110.88 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 pp -63.62 -35.87 81.94 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.092 1.315 . . . . 0.0 113.292 -178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.4 mt -69.91 -33.24 71.92 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.305 0.642 . . . . 0.0 112.699 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 69.1 tp -76.41 -46.5 26.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.078 0.951 . . . . 0.0 111.763 174.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -81.81 -24.44 35.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.291 1.436 . . . . 0.0 114.24 -170.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 62.1 mttp 57.64 20.48 6.34 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.458 1.903 . . . . 0.0 115.668 170.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -71.2 -14.45 62.26 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.025 1.73 . . . . 0.0 113.172 165.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.7 p -55.06 173.13 0.1 Allowed 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 127.398 2.279 . . . . 0.0 112.914 163.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.43 146.7 28.57 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -171.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 54.87 65.61 4.79 Favored Pre-proline 0 CA--C 1.556 1.201 0 C-N-CA 126.6 1.96 . . . . 0.0 114.182 -177.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -67.91 167.28 21.91 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 C-N-CA 123.627 2.885 . . . . 0.0 112.691 173.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -69.36 157.98 53.37 Favored Glycine 0 CA--C 1.545 1.948 0 C-N-CA 124.081 0.848 . . . . 0.0 114.328 176.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.0 129.27 15.02 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.762 2.975 . . . . 0.0 112.92 -175.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.95 -19.94 58.35 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.52 -1.53 27.79 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -176.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -63.93 153.76 36.0 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.321 1.449 . . . . 0.0 113.712 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 7.8 t 62.03 169.52 0.12 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.79 2.036 . . . . 0.0 114.92 -175.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -73.11 142.15 47.52 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.951 1.3 . . . . 0.0 112.713 -177.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 38.0 p -79.7 151.22 30.59 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.838 1.255 . . . . 0.0 112.492 174.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 10.4 p -69.12 149.16 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.222 1.009 . . . . 0.0 111.598 171.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -146.88 142.21 16.88 Favored Pre-proline 0 CA--C 1.547 0.851 0 C-N-CA 125.172 1.389 . . . . 0.0 110.542 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.52 154.94 70.66 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 122.86 2.373 . . . . 0.0 112.08 170.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.174 1.79 . . . . 0.0 111.595 176.771 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t -153.56 154.11 33.66 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.139 1.375 . . . . 0.0 111.733 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 51.81 51.16 17.13 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.197 1.799 . . . . 0.0 113.501 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.6 tpt -62.76 126.93 28.98 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.205 -0.935 . . . . 0.0 111.065 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.59 -177.21 0.05 Allowed 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.417 1.887 . . . . 0.0 114.711 -174.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.2 p -156.26 159.71 39.13 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.891 1.677 . . . . 0.0 111.374 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 61.1 mtm -72.5 138.5 47.04 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.622 -0.673 . . . . 0.0 112.251 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -76.68 -21.13 55.8 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.937 0.895 . . . . 0.0 112.394 160.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -67.53 160.97 26.57 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.092 1.757 . . . . 0.0 112.526 175.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.16 165.96 6.63 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.978 0.911 . . . . 0.0 112.742 165.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -55.74 148.46 16.44 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.148 1.779 . . . . 0.0 113.44 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -58.48 154.39 14.07 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.789 1.236 . . . . 0.0 113.382 173.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -84.54 31.86 0.52 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.809 1.244 . . . . 0.0 113.305 -175.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -84.6 65.88 9.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.463 1.505 . . . . 0.0 110.133 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -58.45 139.77 54.98 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -170.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -148.85 138.45 21.9 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.39 1.876 . . . . 0.0 109.213 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tt -149.16 136.28 19.92 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -162.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.2 p-10 -85.94 47.42 1.45 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.74 2.016 . . . . 0.0 114.34 -169.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 59.15 18.02 6.11 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -52.04 -40.85 61.73 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 120.618 -1.301 . . . . 0.0 111.332 169.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 27.0 m95 -61.1 -27.52 68.43 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.704 1.601 . . . . 0.0 114.326 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.9 t -84.71 -43.83 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 123.7 0.8 . . . . 0.0 110.724 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -60.2 -39.84 87.96 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.455 0.702 . . . . 0.0 112.403 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 pp -69.67 -45.7 67.75 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 118.61 -0.709 . . . . 0.0 111.793 174.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -34.0 76.02 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.888 1.222 . . . . 0.0 113.021 -169.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.4 t -66.19 -39.33 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 123.881 0.872 . . . . 0.0 111.61 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -87.7 -34.02 18.54 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.323 0.861 . . . . 0.0 113.323 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.01 70.84 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 -173.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -68.85 -33.22 73.45 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 171.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -81.12 -42.88 20.25 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.528 1.131 . . . . 0.0 111.771 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.25 -0.98 43.14 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.356 1.462 . . . . 0.0 113.352 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 48.95 56.37 7.85 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 128.049 2.539 . . . . 0.0 114.452 175.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.4 mm -73.98 161.29 4.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 124.382 1.073 . . . . 0.0 109.57 162.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.8 m -74.46 113.05 20.19 Favored Pre-proline 0 CA--C 1.548 0.9 0 C-N-CA 125.247 1.419 . . . . 0.0 113.021 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.44 -24.7 18.93 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.868 2.379 . . . . 0.0 112.344 165.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -59.51 -37.57 78.65 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.683 0.793 . . . . 0.0 112.35 -171.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -55.38 -45.65 76.57 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.407 1.083 . . . . 0.0 111.907 176.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.461 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.2 mp -74.68 -48.09 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 123.826 0.85 . . . . 0.0 109.89 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? -57.18 -39.64 75.74 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.776 0.83 . . . . 0.0 112.786 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -79.9 -39.05 31.26 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.36 1.064 . . . . 0.0 113.354 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.05 -39.14 86.86 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.35 0.523 . . . . 0.0 111.628 177.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 tp -54.71 -42.68 71.81 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.64 1.576 . . . . 0.0 112.678 172.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.05 -30.58 71.13 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.839 1.255 . . . . 0.0 113.111 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.3 tp -77.89 -45.59 23.73 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.959 0.903 . . . . 0.0 112.048 169.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -66.17 -50.81 62.64 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.774 1.629 . . . . 0.0 113.167 -165.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt 52.83 19.85 1.43 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 171.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -68.28 166.38 16.58 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.608 1.163 . . . . 0.0 112.078 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.4 t -154.37 148.47 25.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.121 1.769 . . . . 0.0 109.623 167.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.43 128.53 36.16 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.484 0.714 . . . . 0.0 112.085 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -154.0 149.26 20.44 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.047 0.939 . . . . 0.0 112.692 -176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -69.41 151.44 71.04 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.881 2.388 . . . . 0.0 111.97 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.65 145.64 1.11 Allowed Glycine 0 CA--C 1.547 2.039 0 C-N-CA 125.302 1.43 . . . . 0.0 113.888 -172.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.67 127.3 10.13 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 122.794 2.33 . . . . 0.0 110.834 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.26 -25.4 42.55 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.173 -0.954 . . . . 0.0 112.276 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.96 -16.0 64.06 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.815 1.246 . . . . 0.0 114.102 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -76.51 95.56 3.9 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.087 1.355 . . . . 0.0 111.195 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.5 m -65.02 129.89 41.37 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.393 0.677 . . . . 0.0 110.66 168.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -152.29 158.2 42.44 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.433 1.093 . . . . 0.0 112.255 -174.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.4 p -71.62 152.69 42.68 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.858 1.263 . . . . 0.0 112.748 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.18 161.22 41.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.799 1.64 . . . . 0.0 111.497 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -65.34 145.72 99.04 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 123.603 0.761 . . . . 0.0 112.425 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -74.22 -17.2 21.88 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 123.446 2.764 . . . . 0.0 114.035 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 83.1 t80 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 126.463 1.905 . . . . 0.0 111.44 -177.103 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t 65.24 144.36 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 127.324 2.249 . . . . 0.0 115.085 -172.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 26.0 m80 59.69 166.01 0.06 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.352 2.261 . . . . 0.0 115.106 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -71.08 136.08 48.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.599 1.16 . . . . 0.0 111.849 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.4 150.46 25.19 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.182 1.393 . . . . 0.0 111.875 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -78.77 156.71 28.7 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.659 1.184 . . . . 0.0 112.315 171.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 95.9 mtp -74.87 143.78 43.68 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.918 0.887 . . . . 0.0 111.837 175.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -69.53 138.48 53.33 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.31 1.044 . . . . 0.0 111.675 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -68.81 152.72 44.93 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.812 1.245 . . . . 0.0 113.484 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.78 168.05 20.76 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.119 0.968 . . . . 0.0 111.849 163.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -147.09 173.32 12.6 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.342 1.457 . . . . 0.0 112.301 173.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -67.8 170.69 7.58 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 122.45 1.119 . . . . 0.0 113.644 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 mp0 -60.57 139.49 57.77 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.514 1.125 . . . . 0.0 111.564 172.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -152.33 18.08 0.64 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.853 1.261 . . . . 0.0 112.72 -165.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -89.18 -14.89 35.03 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.675 1.59 . . . . 0.0 113.751 -170.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 30.7 mp0 -71.24 155.74 40.36 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.468 1.907 . . . . 0.0 113.297 -173.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.01 157.81 32.53 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.572 1.149 . . . . 0.0 114.071 -176.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 34.6 p30 -150.77 -51.34 0.13 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.471 1.508 . . . . 0.0 112.181 172.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -72.02 -14.88 62.0 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.473 1.509 . . . . 0.0 114.422 -176.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -55.06 -46.17 75.36 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.18 0.9 . . . . 0.0 110.627 173.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -60.94 -26.44 67.51 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.579 1.552 . . . . 0.0 114.14 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -78.27 -48.4 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 123.831 0.853 . . . . 0.0 111.651 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -67.66 -33.3 74.67 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.636 0.653 . . . . 0.0 111.763 174.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 tt -63.82 -49.3 73.39 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 126.1 1.76 . . . . 0.0 111.116 175.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -56.38 -53.05 61.91 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.197 0.999 . . . . 0.0 112.613 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 11.5 p -69.04 -37.45 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -170.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -77.22 -43.01 35.14 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.211 0.604 . . . . 0.0 112.564 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.31 -30.44 71.58 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.286 0.948 . . . . 0.0 113.323 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -65.36 -51.88 57.49 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.789 1.236 . . . . 0.0 112.327 172.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -68.23 -41.46 81.17 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.217 0.607 . . . . 0.0 112.149 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.83 -2.39 50.81 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.792 1.237 . . . . 0.0 113.848 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 49.8 t30 48.7 63.1 2.24 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.794 1.637 . . . . 0.0 113.407 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 39.9 mm -75.72 166.77 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 C-N-CA 123.874 0.87 . . . . 0.0 108.852 156.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m -76.04 110.78 12.01 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 125.537 1.535 . . . . 0.0 113.619 175.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.02 -21.51 15.73 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.242 2.628 . . . . 0.0 112.752 166.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.25 -36.53 73.34 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.101 0.96 . . . . 0.0 111.771 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -56.19 -42.16 76.69 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.239 1.016 . . . . 0.0 112.187 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.426 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.2 mp -77.42 -48.48 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.55 1.14 . . . . 0.0 109.895 178.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -63.62 -32.83 74.42 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -78.87 -39.81 34.16 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.128 0.971 . . . . 0.0 112.796 173.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -66.81 -36.45 82.41 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.551 0.74 . . . . 0.0 111.772 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 63.4 tp -53.56 -28.14 30.13 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.301 1.84 . . . . 0.0 114.278 171.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 60.0 mt -69.46 -25.44 64.09 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 121.345 -0.847 . . . . 0.0 112.936 175.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 72.8 mt -108.45 -33.49 7.05 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.652 1.581 . . . . 0.0 113.131 -174.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -74.33 114.09 12.3 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.268 1.027 . . . . 0.0 112.062 -172.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -104.62 18.65 21.85 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.787 1.635 . . . . 0.0 113.312 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -68.52 147.51 51.89 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.963 1.705 . . . . 0.0 112.158 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 67.3 m -83.63 155.71 23.07 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.434 1.094 . . . . 0.0 111.92 171.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.78 -21.48 66.44 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 30.0 p80 -145.65 158.03 50.67 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 126.775 2.03 . . . . 0.0 109.996 174.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -68.37 166.18 26.34 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.746 2.297 . . . . 0.0 112.476 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.15 -179.69 52.61 Favored Glycine 0 CA--C 1.541 1.719 0 C-N-CA 124.962 1.268 . . . . 0.0 114.724 174.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -69.18 164.27 34.62 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 124.197 3.265 . . . . 0.0 112.963 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.35 152.81 42.91 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.226 1.01 . . . . 0.0 113.053 176.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.68 153.71 27.41 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.418 1.087 . . . . 0.0 113.279 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -79.11 49.69 0.97 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.0 1.72 . . . . 0.0 112.683 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.4 m -71.94 -19.36 61.92 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 -172.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -68.66 144.72 54.37 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.084 0.954 . . . . 0.0 111.983 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 37.4 p -66.97 146.92 53.87 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.124 0.97 . . . . 0.0 112.358 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.0 13.15 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 125.74 1.616 . . . . 0.0 112.636 179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -69.4 147.52 97.01 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 126.015 1.726 . . . . 0.0 112.865 -170.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -69.6 160.24 50.51 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.557 2.838 . . . . 0.0 112.892 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 83.7 t80 . . . . . 0 C--O 1.254 1.34 0 C-N-CA 125.214 1.406 . . . . 0.0 112.576 175.325 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 t -68.69 151.76 46.25 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.067 0.947 . . . . 0.0 112.942 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -75.79 -17.71 59.77 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.33 1.052 . . . . 0.0 113.247 171.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 76.2 mtm -74.37 157.71 35.22 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.285 1.034 . . . . 0.0 112.381 175.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.68 153.47 42.51 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.888 1.275 . . . . 0.0 112.348 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -62.53 -18.17 61.43 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -173.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 28.1 ptm -58.02 -23.2 53.22 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.07 1.348 . . . . 0.0 113.551 173.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -59.64 -29.83 68.3 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.09 1.356 . . . . 0.0 112.846 171.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -101.25 12.54 37.33 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.528 1.531 . . . . 0.0 113.575 -171.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.04 152.43 32.55 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.671 1.188 . . . . 0.0 113.806 -176.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -148.8 140.82 23.85 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.902 1.681 . . . . 0.0 111.807 -174.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -79.24 155.69 28.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.801 1.24 . . . . 0.0 112.695 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -65.7 -21.42 66.53 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.407 1.483 . . . . 0.0 114.089 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -78.7 78.54 5.15 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.296 -0.877 . . . . 0.0 108.92 160.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -62.14 142.65 57.49 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.743 0.817 . . . . 0.0 113.01 -171.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -80.14 40.88 0.5 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.375 1.47 . . . . 0.0 112.108 172.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.1 tp -66.37 137.78 57.13 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.879 1.672 . . . . 0.0 112.111 -174.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.412 ' HA ' ' HE3' ' B' ' 29' ' ' LYS . 27.9 t0 -126.02 -58.13 1.39 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 -173.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -128.44 6.6 5.77 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -165.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -60.54 -48.66 80.81 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.775 -1.203 . . . . 0.0 110.353 168.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -61.1 -39.3 89.44 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -176.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.08 -33.4 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.156 0.889 . . . . 0.0 112.733 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -70.53 -39.03 74.3 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.504 0.721 . . . . 0.0 111.473 171.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tt -64.42 -51.94 60.65 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.564 1.946 . . . . 0.0 112.078 176.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.74 -35.37 80.55 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -165.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.1 m -69.64 -34.32 60.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 118.528 0.604 . . . . 0.0 112.624 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -81.33 -39.21 25.49 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.659 0.784 . . . . 0.0 111.802 174.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.24 -28.09 68.46 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.446 1.098 . . . . 0.0 113.127 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -59.18 -47.19 86.21 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.218 1.007 . . . . 0.0 112.046 165.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -73.22 -38.25 66.14 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.435 1.094 . . . . 0.0 113.09 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.12 -11.05 59.56 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.319 1.048 . . . . 0.0 113.238 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.64 42.74 16.7 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.684 2.393 . . . . 0.0 113.782 179.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.4 mm -76.27 70.19 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 124.322 1.049 . . . . 0.0 112.327 -176.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.4 m 46.63 59.8 15.49 Favored Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 161.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -56.88 -28.08 75.52 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.116 2.544 . . . . 0.0 113.224 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -58.76 -30.11 67.28 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.948 0.899 . . . . 0.0 113.012 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.41 -45.83 91.32 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.715 0.806 . . . . 0.0 111.297 174.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.421 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.2 mp -71.62 -39.5 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 O-C-N 121.792 -0.567 . . . . 0.0 109.945 178.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -55.74 -46.68 77.75 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 174.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -76.31 -34.29 59.04 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -41.03 99.32 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.517 0.727 . . . . 0.0 110.765 172.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.0 mt -54.68 -43.09 72.16 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.329 -1.482 . . . . 0.0 113.401 171.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.12 -33.74 76.1 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.811 0.844 . . . . 0.0 112.883 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 tp -76.27 -42.98 43.78 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.598 1.159 . . . . 0.0 112.81 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -65.73 -59.22 4.13 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.574 1.549 . . . . 0.0 113.511 -161.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt 50.83 27.81 3.32 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.986 1.714 . . . . 0.0 115.309 174.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -58.74 134.93 57.26 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.097 -1.002 . . . . 0.0 111.492 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 19.3 m 59.98 7.55 1.19 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.818 2.047 . . . . 0.0 116.446 -176.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.56 -12.49 51.48 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 120.983 -1.073 . . . . 0.0 113.717 174.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -65.67 137.49 96.33 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 124.906 1.282 . . . . 0.0 112.167 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -70.87 170.38 18.03 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.868 3.045 . . . . 0.0 113.605 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.39 -177.88 31.39 Favored Glycine 0 CA--C 1.546 1.982 0 C-N-CA 124.528 1.061 . . . . 0.0 114.609 174.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -58.17 147.65 82.56 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.142 3.228 . . . . 0.0 114.694 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.21 -10.49 59.45 Favored 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -145.88 160.11 42.27 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.609 1.564 . . . . 0.0 112.246 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.44 165.27 25.06 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.087 1.355 . . . . 0.0 111.9 177.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.9 t -56.84 -34.21 67.54 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.521 1.128 . . . . 0.0 112.796 177.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -128.52 130.6 47.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.562 1.545 . . . . 0.0 109.824 163.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -137.61 141.16 41.25 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.288 1.435 . . . . 0.0 110.426 -176.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.23 145.53 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.427 1.091 . . . . 0.0 112.457 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -152.06 -42.22 0.01 OUTLIER Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 125.246 1.419 . . . . 0.0 113.404 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -63.63 157.18 52.88 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.912 2.408 . . . . 0.0 114.053 176.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 . . . . . 0 C--O 1.255 1.37 0 C-N-CA 125.336 1.455 . . . . 0.0 113.159 177.13 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -66.14 -30.03 70.44 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -174.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 60.4 m80 53.14 30.92 10.49 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.305 1.442 . . . . 0.0 113.376 -169.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 24.3 ptp -60.98 141.67 57.14 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.954 0.902 . . . . 0.0 112.923 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.86 -25.41 56.16 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 177.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 42.9 t -157.87 154.26 27.68 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 126.107 1.763 . . . . 0.0 111.058 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 60.4 ttp -68.06 -20.15 64.94 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.569 1.147 . . . . 0.0 112.971 171.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -65.92 158.71 27.34 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.657 1.183 . . . . 0.0 113.223 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -63.34 128.69 36.99 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.037 0.935 . . . . 0.0 111.113 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.78 -16.87 60.7 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -65.44 127.44 31.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.214 1.006 . . . . 0.0 111.753 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -81.7 -16.65 50.57 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -171.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.04 7.8 3.77 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -175.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -74.49 48.57 0.35 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 125.406 1.482 . . . . 0.0 112.37 167.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -62.55 -35.36 79.2 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 -168.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -137.43 5.57 2.72 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt -136.65 79.32 1.75 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 126.647 1.979 . . . . 0.0 108.655 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -69.32 88.36 0.45 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.936 1.294 . . . . 0.0 112.39 -174.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 61.17 9.26 2.37 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.239 1.816 . . . . 0.0 114.937 174.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -54.55 -55.71 26.49 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.409 1.083 . . . . 0.0 110.555 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -58.56 -31.42 67.97 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.722 1.209 . . . . 0.0 114.129 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.7 t -82.57 -36.74 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-N 118.808 0.731 . . . . 0.0 112.268 -175.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.72 -41.46 75.29 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.476 -0.765 . . . . 0.0 111.206 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 tt -59.68 -49.22 78.58 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.232 1.813 . . . . 0.0 112.499 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.71 -39.31 94.0 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.052 0.842 . . . . 0.0 113.038 -170.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 13.4 p -76.48 -37.73 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 123.337 0.655 . . . . 0.0 112.264 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.14 -42.16 84.85 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.336 -0.852 . . . . 0.0 111.528 173.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.55 -31.97 72.43 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.356 1.062 . . . . 0.0 113.327 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.412 ' HE3' ' HA ' ' A' ' 18' ' ' ASP . 79.0 tttt -63.66 -51.37 65.44 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.879 1.272 . . . . 0.0 111.815 167.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -65.79 -41.7 91.65 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.93 -9.14 59.45 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.101 1.36 . . . . 0.0 114.341 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 51.05 59.4 4.64 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.16 1.784 . . . . 0.0 113.564 -174.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.406 HG22 ' N ' ' B' ' 34' ' ' SER . 45.4 mm -69.89 168.7 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 123.507 0.723 . . . . 0.0 109.64 160.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . 0.406 ' N ' HG22 ' B' ' 33' ' ' ILE . 44.8 m -74.8 110.84 10.9 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.886 1.674 . . . . 0.0 113.762 173.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -79.45 -22.97 7.68 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 123.354 2.702 . . . . 0.0 112.214 163.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -56.65 -42.33 78.74 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.841 1.656 . . . . 0.0 113.012 -173.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.05 -44.9 91.85 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.701 0.8 . . . . 0.0 111.639 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 4.0 mp -70.9 -48.72 54.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 C-N-CA 123.542 0.737 . . . . 0.0 110.444 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -54.31 -47.66 72.21 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.263 0.625 . . . . 0.0 112.538 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -75.43 -37.23 60.53 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -65.73 -45.7 81.64 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 119.001 -0.524 . . . . 0.0 111.566 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.1 -40.84 74.29 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.381 1.072 . . . . 0.0 113.258 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.0 tp -62.54 -34.96 77.96 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.724 0.809 . . . . 0.0 112.681 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 90.2 mt -79.28 -48.34 14.3 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.105 0.962 . . . . 0.0 111.775 172.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -80.99 63.65 5.45 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.898 2.079 . . . . 0.0 111.955 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -62.32 -24.14 67.15 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.767 1.227 . . . . 0.0 113.316 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 21.5 tttt 60.84 -172.42 0.14 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.302 2.241 . . . . 0.0 114.44 169.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.5 m 58.3 33.03 22.76 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.876 1.67 . . . . 0.0 115.239 176.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.53 150.09 49.5 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.214 1.005 . . . . 0.0 112.762 176.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -69.53 137.07 88.35 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 123.983 0.913 . . . . 0.0 111.673 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -69.97 167.11 25.66 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.489 2.793 . . . . 0.0 112.97 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.54 175.09 53.46 Favored Glycine 0 CA--C 1.544 1.846 0 C-N-CA 123.919 0.771 . . . . 0.0 114.306 172.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -61.0 156.23 45.55 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.119 3.213 . . . . 0.0 114.122 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -152.31 141.82 21.7 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.932 1.293 . . . . 0.0 112.361 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.98 153.8 43.17 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.846 1.258 . . . . 0.0 112.636 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -157.53 160.58 38.34 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.206 1.402 . . . . 0.0 113.075 -172.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 15.9 t 53.71 -141.19 0.88 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.876 1.27 . . . . 0.0 111.791 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 33.0 p80 -68.29 -13.17 62.06 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.58 1.552 . . . . 0.0 114.355 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 95.6 m -77.73 119.74 21.67 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.166 -0.958 . . . . 0.0 110.869 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 11.1 p -156.5 151.37 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.709 1.604 . . . . 0.0 110.459 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -66.15 137.83 95.86 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 124.091 0.956 . . . . 0.0 111.86 175.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -74.0 -23.71 15.84 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.269 2.646 . . . . 0.0 113.633 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 . . . . . 0 C--O 1.251 1.177 0 C-N-CA 126.962 2.105 . . . . 0.0 111.504 -178.053 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.933 -0.467 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -154.21 163.7 39.71 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.21 1.404 . . . . 0.0 111.507 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -66.68 146.73 54.15 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.503 1.121 . . . . 0.0 112.826 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.0 tpt -69.72 142.1 53.37 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.218 1.007 . . . . 0.0 112.306 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.1 152.5 32.43 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.594 1.558 . . . . 0.0 111.543 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 m -66.82 141.95 57.51 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.194 0.998 . . . . 0.0 112.709 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 95.5 mtp -74.07 148.37 41.95 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.966 0.906 . . . . 0.0 112.373 176.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -74.04 156.62 37.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.772 1.229 . . . . 0.0 112.107 174.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -149.88 149.93 31.18 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.502 1.521 . . . . 0.0 111.457 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.41 159.35 44.53 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.212 1.405 . . . . 0.0 112.201 178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -66.99 156.37 36.16 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.056 1.342 . . . . 0.0 113.144 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -83.65 -25.68 30.54 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.094 0.957 . . . . 0.0 112.662 170.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mp0 -71.36 131.21 43.07 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.348 1.059 . . . . 0.0 112.606 -175.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -86.43 18.57 3.19 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.068 1.347 . . . . 0.0 113.147 177.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -146.81 163.36 36.29 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.287 1.835 . . . . 0.0 111.691 -173.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -135.46 20.98 3.37 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.833 1.653 . . . . 0.0 111.577 178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.41 143.21 57.86 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.509 1.524 . . . . 0.0 112.223 -174.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.6 p30 -146.47 -52.18 0.23 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.802 1.241 . . . . 0.0 114.064 -175.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -141.2 -8.73 1.0 Allowed 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -162.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.1 tp10 -51.83 -52.39 49.67 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.276 1.398 . . . . 0.0 110.897 176.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 82.6 m95 -56.56 -36.8 69.73 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.225 1.41 . . . . 0.0 114.637 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.9 m -82.95 -26.67 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.717 1.144 . . . . 0.0 113.727 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -74.57 -44.29 51.61 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.29 0.95 . . . . 0.0 110.804 166.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tt -57.13 -48.14 79.4 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 127.359 2.264 . . . . 0.0 112.29 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -65.05 -34.16 77.76 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.746 0.703 . . . . 0.0 112.862 -174.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.94 -43.86 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 124.278 1.031 . . . . 0.0 111.339 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -71.67 -42.4 67.52 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.95 -0.468 . . . . 0.0 111.909 175.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.11 -40.1 90.47 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -176.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -67.4 -38.37 84.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.749 0.704 . . . . 0.0 111.98 177.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -74.37 -42.22 59.69 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.463 1.105 . . . . 0.0 113.156 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.47 -8.23 59.7 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.263 1.025 . . . . 0.0 113.354 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.48 60.95 2.39 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.486 2.315 . . . . 0.0 113.346 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.3 mm -71.37 163.36 3.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.571 -0.706 . . . . 0.0 109.679 159.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.5 m -76.86 108.86 7.35 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.819 1.648 . . . . 0.0 113.194 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.08 -25.64 15.87 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.049 2.499 . . . . 0.0 113.21 172.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -59.94 -30.3 68.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.164 0.586 . . . . 0.0 111.952 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -59.77 -43.02 94.56 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.016 0.927 . . . . 0.0 112.138 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.492 HD12 ' H ' ' A' ' 38' ' ' ILE . 4.2 mp -76.27 -45.0 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 124.202 1.001 . . . . 0.0 110.045 177.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -56.01 -47.14 78.33 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.22 1.008 . . . . 0.0 112.507 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -72.31 -35.89 68.77 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.629 0.772 . . . . 0.0 112.997 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -51.49 65.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.478 1.111 . . . . 0.0 109.884 173.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.38 -42.66 78.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.177 1.391 . . . . 0.0 113.565 173.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.7 tp -63.18 -36.94 85.31 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.861 0.864 . . . . 0.0 112.569 177.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.6 tp -78.05 -40.74 37.79 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.604 1.162 . . . . 0.0 112.881 176.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.29 73.25 8.34 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -160.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -61.9 -19.55 62.79 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.344 1.458 . . . . 0.0 114.021 169.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 tttp 64.65 -35.78 0.18 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 130.042 3.337 . . . . 0.0 117.607 169.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.6 t -69.71 147.32 50.71 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.706 1.202 . . . . 0.0 112.53 177.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.72 156.19 39.81 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.514 1.126 . . . . 0.0 112.897 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -67.04 130.17 93.88 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 123.47 0.708 . . . . 0.0 111.341 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.06 158.11 49.9 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 123.417 2.745 . . . . 0.0 113.318 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 177.53 164.65 31.38 Favored Glycine 0 CA--C 1.542 1.757 0 C-N-CA 124.286 0.946 . . . . 0.0 113.676 172.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -64.57 154.82 70.03 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.611 2.874 . . . . 0.0 114.01 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.49 -22.23 59.18 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.667 0.787 . . . . 0.0 112.851 166.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.33 149.52 48.35 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.816 1.246 . . . . 0.0 112.598 175.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.94 161.96 41.24 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.225 1.81 . . . . 0.0 111.672 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 77.4 p -62.59 144.81 55.75 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.07 0.948 . . . . 0.0 112.509 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.7 p-80 -158.58 155.07 27.64 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.508 1.523 . . . . 0.0 111.177 -173.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.5 t -157.63 161.21 38.65 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.905 1.282 . . . . 0.0 111.783 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . 0.332 3.7 p 52.19 30.08 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 127.729 2.411 . . . . 0.0 114.736 176.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -65.92 147.94 98.54 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.705 1.202 . . . . 0.0 112.473 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.56 157.51 61.55 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.437 2.758 . . . . 0.0 112.839 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 81.1 t80 . . . . . 0 C--O 1.254 1.313 0 C-N-CA 125.259 1.424 . . . . 0.0 112.539 176.34 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -59.44 -26.21 65.01 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -171.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -62.99 -15.02 54.79 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.668 1.187 . . . . 0.0 114.146 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 26.5 mmt -73.92 -18.2 60.93 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.173 0.989 . . . . 0.0 113.413 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.47 -176.14 4.1 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.753 1.221 . . . . 0.0 112.675 173.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 13.9 t -65.77 178.5 1.03 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.392 1.477 . . . . 0.0 113.861 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 98.1 mmm -62.12 -6.67 3.17 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.537 1.935 . . . . 0.0 114.699 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -56.36 -13.2 2.04 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 126.18 1.792 . . . . 0.0 114.895 170.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -62.0 -34.63 76.54 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.722 1.209 . . . . 0.0 112.924 167.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.92 158.55 28.02 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.6 1.16 . . . . 0.0 112.383 175.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.05 153.36 36.34 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.055 1.342 . . . . 0.0 113.02 177.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -80.33 -19.48 46.43 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.198 0.999 . . . . 0.0 113.545 172.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -74.51 -0.21 16.85 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -169.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -58.3 -20.95 47.1 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.07 1.748 . . . . 0.0 114.484 -176.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -70.69 -21.83 62.53 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 174.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 54.77 29.51 11.94 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.953 1.701 . . . . 0.0 115.0 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 66.5 tp -58.42 -47.61 83.39 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.434 1.094 . . . . 0.0 113.018 -173.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -64.19 -34.47 78.15 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.837 -0.54 . . . . 0.0 112.092 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -71.58 -36.44 70.87 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.792 0.837 . . . . 0.0 112.006 176.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -59.17 -44.11 92.15 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.124 0.874 . . . . 0.0 110.851 170.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -64.6 -27.98 69.32 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -75.58 -47.56 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 CA-C-N 119.945 1.248 . . . . 0.0 111.473 167.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -60.47 -40.03 89.75 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.105 0.962 . . . . 0.0 112.277 -175.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.23 -47.78 55.26 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 118.428 -0.796 . . . . 0.0 111.47 172.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -35.98 76.47 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.179 1.354 . . . . 0.0 113.362 -166.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.72 -35.57 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 122.897 0.479 . . . . 0.0 112.219 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -82.11 -41.14 20.9 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.063 0.945 . . . . 0.0 112.605 176.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.92 -31.45 71.76 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.768 1.227 . . . . 0.0 113.679 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -63.9 -50.46 68.64 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.803 0.841 . . . . 0.0 111.459 173.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -71.48 -36.87 71.31 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.286 1.034 . . . . 0.0 113.081 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -80.2 -9.11 59.71 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.705 1.202 . . . . 0.0 113.206 174.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.73 53.8 10.05 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.823 2.049 . . . . 0.0 113.488 -178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 38.5 mm -70.84 165.8 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 121.549 -0.719 . . . . 0.0 109.135 162.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 38.8 m -77.48 110.16 11.75 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.592 1.157 . . . . 0.0 113.268 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -74.87 -22.82 14.73 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.872 2.382 . . . . 0.0 112.213 167.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -61.33 -30.23 70.38 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.421 -0.799 . . . . 0.0 112.464 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -60.07 -40.92 91.18 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.501 1.12 . . . . 0.0 112.101 174.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.469 HD12 ' H ' ' B' ' 38' ' ' ILE . 4.2 mp -76.92 -44.35 32.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 124.136 0.974 . . . . 0.0 109.935 176.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 52.2 ttt85 -53.94 -45.04 71.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.457 0.703 . . . . 0.0 112.774 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -73.63 -40.1 64.03 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 119.046 0.839 . . . . 0.0 113.091 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -42.36 98.33 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.887 0.875 . . . . 0.0 110.391 175.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 50.8 tp -54.59 -33.07 59.74 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.995 1.318 . . . . 0.0 114.353 174.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.7 mt -75.58 -34.39 60.66 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.967 0.803 . . . . 0.0 113.053 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -87.61 -26.08 23.25 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.873 1.269 . . . . 0.0 113.399 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -66.0 113.17 4.24 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.881 1.673 . . . . 0.0 112.278 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -81.35 -14.0 57.74 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -64.12 -22.6 67.0 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.849 1.425 . . . . 0.0 114.849 -167.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 78.8 p -73.76 -20.94 60.35 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.612 1.165 . . . . 0.0 114.016 174.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.18 160.72 26.83 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.469 1.107 . . . . 0.0 113.195 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -64.52 149.67 94.89 Favored Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 124.212 1.005 . . . . 0.0 112.048 174.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.45 -38.16 6.62 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.223 2.616 . . . . 0.0 113.334 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.27 -162.38 26.45 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 125.683 1.611 . . . . 0.0 113.1 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -68.79 110.17 2.29 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 123.031 2.487 . . . . 0.0 110.808 168.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -85.88 -34.17 21.05 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.879 1.272 . . . . 0.0 111.944 171.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.72 172.29 11.74 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.174 1.39 . . . . 0.0 112.33 170.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 50.7 tpt85 -64.44 -32.76 74.52 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.505 -0.747 . . . . 0.0 112.385 171.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -63.11 139.54 58.78 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.537 0.608 . . . . 0.0 111.208 174.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -73.48 -8.26 55.17 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.352 1.241 . . . . 0.0 114.352 -175.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 66.4 p -70.26 137.72 51.02 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.304 -0.873 . . . . 0.0 111.866 173.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 97.3 t -65.98 130.55 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.143 0.977 . . . . 0.0 110.99 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -82.67 159.57 63.43 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 123.727 0.811 . . . . 0.0 112.995 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -57.47 153.84 39.12 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.793 2.996 . . . . 0.0 114.12 175.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 64.8 t80 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.548 1.539 . . . . 0.0 111.869 -176.518 . . . . . . . . 0 0 . 1 stop_ save_