data_2mqk_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 2mqk _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 . . . . . 0 C--O 1.234 0.271 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 mt -58.77 -34.01 50.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 O-C-N 121.585 -0.697 . . . . 0.0 109.57 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.9 m -59.38 -37.91 79.15 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.596 1.158 . . . . 0.0 110.71 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -69.34 -40.91 77.27 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 118.878 0.763 . . . . 0.0 109.598 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.33 -58.87 3.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -62.0 -33.15 73.81 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.651 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.16 -23.49 67.46 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-O 117.52 -1.229 . . . . 0.0 112.883 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.5 -44.53 5.82 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.5 mt -56.86 -38.98 73.46 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 121.464 -1.021 . . . . 0.0 112.372 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -59.73 -44.08 93.92 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 119.042 -0.504 . . . . 0.0 109.793 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -58.98 -43.44 91.41 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.418 1.087 . . . . 0.0 111.121 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.7 -50.94 64.98 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 119.137 -0.458 . . . . 0.0 111.066 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.5 m -67.75 -33.26 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 119.819 -0.752 . . . . 0.0 112.023 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.58 -34.55 71.22 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 124.77 1.228 . . . . 0.0 110.888 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -109.21 19.7 19.14 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.898 0.879 . . . . 0.0 112.689 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 59.65 17.79 6.55 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.921 1.688 . . . . 0.0 114.891 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.25 -20.9 65.73 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.173 1.789 . . . . 0.0 111.112 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.415 ' HG1' HG13 ' A' ' 24' ' ' ILE . 5.5 t -158.7 175.96 12.97 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.934 1.294 . . . . 0.0 108.011 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.2 p -137.19 161.75 35.32 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.086 1.354 . . . . 0.0 108.786 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -59.83 -43.24 94.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -61.51 -48.21 82.07 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.202 1.001 . . . . 0.0 112.305 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -65.88 -43.52 88.07 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 117.313 -1.327 . . . . 0.0 109.925 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.415 HG13 ' HG1' ' A' ' 19' ' ' THR . 58.0 mt -60.05 -47.04 93.4 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.7 87.07 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 123.402 0.681 . . . . 0.0 111.105 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.0 tp -65.83 -49.03 69.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 119.218 -0.42 . . . . 0.0 110.868 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -67.74 -32.58 73.3 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.6 p -86.93 -18.41 30.86 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 121.837 -0.539 . . . . 0.0 112.202 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.78 13.11 82.56 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.2 mt -96.18 177.3 5.77 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.748 1.619 . . . . 0.0 107.515 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m -92.85 150.85 20.34 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 p -56.59 -46.5 80.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.112 0.965 . . . . 0.0 111.231 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.04 -35.76 78.15 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 118.938 -0.924 . . . . 0.0 112.863 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.0 m -61.73 -51.72 67.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.177 0.991 . . . . 0.0 110.359 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.0 -51.87 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 C-N-CA 124.063 0.945 . . . . 0.0 109.718 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 p -59.45 -45.59 91.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.476 -0.297 . . . . 0.0 111.225 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.14 -35.91 80.74 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.717 0.689 . . . . 0.0 112.133 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -64.18 -49.08 73.46 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.979 1.312 . . . . 0.0 107.476 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.72 -45.97 97.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -65.72 -6.45 11.61 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.594 1.157 . . . . 0.0 111.753 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 t0 53.85 44.69 29.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.25 1.42 . . . . 0.0 107.718 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -131.38 -6.12 3.77 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 127.211 2.204 . . . . 0.0 112.538 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -67.21 134.97 52.7 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -114.17 114.22 25.73 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.07 -157.06 27.36 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 108.527 -1.829 . . . . 0.0 108.527 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -79.51 83.61 5.48 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -60.42 -31.84 70.78 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 122.647 0.379 . . . . 0.0 110.206 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -64.22 -34.99 79.36 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.942 0.497 . . . . 0.0 110.286 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -62.16 -47.88 82.57 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 120.78 -1.2 . . . . 0.0 107.974 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.74 -46.38 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 125.04 1.336 . . . . 0.0 110.157 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 99.8 p -55.63 -51.33 67.57 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 119.272 0.942 . . . . 0.0 110.091 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -58.42 -36.58 73.82 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 118.426 -0.797 . . . . 0.0 113.079 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 m -69.27 -45.58 69.35 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.35 -30.31 71.47 Favored 'General case' 0 C--O 1.227 -0.095 0 O-C-N 120.764 -1.21 . . . . 0.0 112.464 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -60.67 -48.75 80.4 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 118.625 0.648 . . . . 0.0 110.103 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -59.56 -38.98 82.55 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 122.743 0.417 . . . . 0.0 110.552 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -65.25 -49.85 68.02 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.16 -36.0 78.61 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.321 -0.862 . . . . 0.0 111.366 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -59.82 -50.28 74.42 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.202 1.001 . . . . 0.0 109.622 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -69.03 -31.67 70.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.493 0.588 . . . . 0.0 111.514 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -62.71 1.31 Allowed 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -63.43 -17.05 62.27 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 179.01 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 . . . . . 0 N--CA 1.463 0.198 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.0 mt -58.95 -40.4 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.6 t -57.36 -43.12 83.26 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.468 1.507 . . . . 0.0 108.187 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -70.55 -46.23 63.95 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 119.022 0.828 . . . . 0.0 110.12 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.99 -56.36 9.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 124.609 1.164 . . . . 0.0 108.345 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.2 ptt85 -67.15 -30.83 70.92 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.08 -40.12 78.64 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 118.754 0.706 . . . . 0.0 110.571 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.2 -43.88 93.38 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 108.085 -2.006 . . . . 0.0 108.085 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.3 mt -58.2 -41.01 83.03 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 117.945 -1.026 . . . . 0.0 111.407 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -58.81 -47.83 83.42 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.4 m -53.76 -54.62 35.58 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.539 0.524 . . . . 0.0 110.16 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.22 -39.18 81.9 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.686 0.675 . . . . 0.0 112.14 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -77.91 -37.66 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 119.934 -1.729 . . . . 0.0 112.415 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -69.49 -35.9 75.99 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.968 1.707 . . . . 0.0 110.086 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -81.5 -0.76 43.35 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.919 0.887 . . . . 0.0 110.521 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 69.67 12.19 8.03 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 128.672 2.789 . . . . 0.0 112.346 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -56.58 -37.7 70.96 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 126.182 1.793 . . . . 0.0 111.293 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 t -151.67 -177.18 5.95 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.821 0.848 . . . . 0.0 109.821 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.6 m -130.49 156.2 45.18 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.043 1.737 . . . . 0.0 106.609 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -52.66 -36.96 57.86 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.673 -1.267 . . . . 0.0 114.174 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -60.64 -39.76 89.48 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 118.849 -0.596 . . . . 0.0 112.061 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -67.04 -43.95 81.45 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 123.821 0.701 . . . . 0.0 110.221 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mt -61.81 -49.74 83.03 Favored 'Isoleucine or valine' 0 C--N 1.339 0.121 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.45 -49.66 73.96 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 123.548 0.739 . . . . 0.0 111.719 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.88 -44.79 82.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.026 1.331 . . . . 0.0 112.376 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -78.47 -41.31 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 p -73.33 -28.33 62.01 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 123.373 0.669 . . . . 0.0 112.145 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.61 12.73 60.58 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.419 -1.073 . . . . 0.0 110.419 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.8 mt -97.85 -177.68 3.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.898 1.349 . . . . 0.0 109.174 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.3 t -99.83 145.76 27.38 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 p -56.37 -51.7 67.34 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.529 1.132 . . . . 0.0 110.804 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.29 -43.55 93.65 Favored Glycine 0 C--N 1.338 0.692 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 49.5 m -59.16 -53.01 63.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 117.655 -1.164 . . . . 0.0 110.511 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.1 mt -56.08 -46.94 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 120.09 1.314 . . . . 0.0 109.378 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -44.09 82.7 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.835 -0.541 . . . . 0.0 110.881 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -36.58 77.44 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 123.995 0.918 . . . . 0.0 110.216 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -64.14 -46.84 82.3 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.535 1.134 . . . . 0.0 108.142 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 85.5 mt -58.83 -39.54 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 O-C-N 121.837 -0.539 . . . . 0.0 110.023 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -79.25 -3.43 45.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.7 t70 56.9 41.48 27.81 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.982 1.372 . . . . 0.0 108.58 -177.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -125.52 -6.21 6.99 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 125.952 1.701 . . . . 0.0 110.735 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -63.98 142.84 58.26 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 120.324 1.42 . . . . 0.0 108.092 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -117.87 92.55 3.86 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 104.503 -2.406 . . . . 0.0 104.503 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.27 -161.47 26.34 Favored Glycine 0 N--CA 1.435 -1.382 0 N-CA-C 107.326 -2.31 . . . . 0.0 107.326 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -88.0 85.99 7.06 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 102.743 -3.058 . . . . 0.0 102.743 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -56.22 -31.21 63.3 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.128 0.971 . . . . 0.0 109.163 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -60.91 -35.02 75.59 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.5 1.92 . . . . 0.0 110.075 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 tpp85 -68.74 -48.63 63.27 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 120.347 -1.471 . . . . 0.0 107.099 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.8 t -56.65 -46.59 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.083 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 p -59.87 -44.61 94.07 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.399 0.999 . . . . 0.0 110.058 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -60.69 -38.77 86.09 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.66 0.664 . . . . 0.0 111.328 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 m -69.83 -37.19 76.11 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.55 0.614 . . . . 0.0 109.9 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.6 mt -72.79 -28.62 62.7 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 117.24 -1.362 . . . . 0.0 110.287 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -58.32 -50.78 72.43 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.467 1.031 . . . . 0.0 109.405 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -57.35 -48.66 78.42 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 118.561 0.619 . . . . 0.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -59.94 -47.03 87.44 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.141 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.77 -35.15 78.88 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 124.606 1.163 . . . . 0.0 111.458 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.97 -50.27 71.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -66.0 -35.92 81.87 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 118.884 0.766 . . . . 0.0 109.666 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -53.34 38.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -60.62 -22.65 64.01 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 117.598 -1.191 . . . . 0.0 114.18 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.344 0 CA-C-N 120.004 1.275 . . . . 0.0 110.238 179.631 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.0 t30 . . . . . 0 CA--C 1.535 0.381 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 mt -47.42 -53.9 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.558 1.143 . . . . 0.0 112.562 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -55.79 -35.28 66.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.379 1.072 . . . . 0.0 113.034 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.23 -47.38 16.04 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.889 1.676 . . . . 0.0 108.878 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.5 mt -53.52 -54.23 19.99 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 C-N-CA 124.773 1.229 . . . . 0.0 108.17 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 -63.42 -31.44 72.6 Favored 'General case' 0 C--N 1.339 0.114 0 CA-C-O 117.801 -1.095 . . . . 0.0 113.331 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.62 -46.59 85.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 119.221 0.918 . . . . 0.0 111.435 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.72 -41.01 93.62 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.99 -35.49 76.95 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.364 -1.08 . . . . 0.0 112.447 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -66.13 -46.66 76.76 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -54.03 -41.26 67.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.115 0.885 . . . . 0.0 110.244 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.05 -51.98 58.41 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.803 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -69.26 -29.55 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 119.78 1.173 . . . . 0.0 112.536 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.78 -23.6 64.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.676 1.591 . . . . 0.0 112.138 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -112.93 12.41 19.35 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.229 1.412 . . . . 0.0 110.808 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 60.38 17.39 7.12 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.612 2.365 . . . . 0.0 114.223 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.69 -22.99 67.19 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.786 2.034 . . . . 0.0 109.897 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 t -157.87 177.85 10.89 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.937 2.095 . . . . 0.0 108.345 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.0 m -141.06 151.74 44.27 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.894 1.678 . . . . 0.0 108.261 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -53.07 -40.18 63.85 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.828 1.195 . . . . 0.0 111.663 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -61.37 -45.89 92.51 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.414 1.086 . . . . 0.0 110.389 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -61.41 -52.05 66.22 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.981 1.313 . . . . 0.0 109.107 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.4 mt -55.84 -48.41 78.3 Favored 'Isoleucine or valine' 0 C--N 1.343 0.296 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.28 92.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.552 0.741 . . . . 0.0 112.039 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.1 -51.34 66.97 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.383 0.538 . . . . 0.0 110.195 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.05 -48.05 81.98 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -75.17 -19.7 59.71 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.612 1.165 . . . . 0.0 113.388 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.86 4.56 62.52 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.9 mt -82.72 167.29 18.34 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.8 m -84.28 150.7 25.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.239 -0.913 . . . . 0.0 108.921 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.1 p -57.86 -34.11 69.39 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 124.269 1.028 . . . . 0.0 110.409 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.65 -37.91 61.55 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 118.49 -1.172 . . . . 0.0 110.792 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.4 m -59.75 -52.84 63.76 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 118.872 1.336 . . . . 0.0 110.519 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.4 mt -54.68 -50.92 56.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 123.03 0.532 . . . . 0.0 110.301 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.0 p -63.99 -41.98 97.35 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.974 -0.536 . . . . 0.0 111.902 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -61.34 -46.75 88.94 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.736 1.614 . . . . 0.0 109.995 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -58.48 -48.36 81.03 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.172 1.389 . . . . 0.0 110.095 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mt -65.5 -36.05 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 119.305 -0.378 . . . . 0.0 110.353 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -83.08 9.01 11.28 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.164 1.386 . . . . 0.0 113.262 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 56.12 34.47 23.92 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.553 1.541 . . . . 0.0 111.571 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -116.28 2.51 13.26 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 120.557 -1.34 . . . . 0.0 114.249 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -73.87 87.1 1.77 Allowed 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -81.4 58.89 3.8 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 123.783 0.833 . . . . 0.0 110.161 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.86 -149.48 5.05 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 125.431 1.491 . . . . 0.0 110.705 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -82.47 84.65 7.13 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -57.6 -36.78 72.21 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 125.079 1.351 . . . . 0.0 108.653 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -55.12 -36.65 65.95 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.305 2.242 . . . . 0.0 112.667 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -71.81 -42.42 67.06 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 121.052 -1.03 . . . . 0.0 109.141 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.26 -52.3 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-O 118.3 -0.857 . . . . 0.0 109.404 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 p -52.25 -51.62 57.29 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 119.593 1.088 . . . . 0.0 111.526 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -60.91 -31.93 71.42 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.5 m -73.37 -44.56 58.38 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.7 mt -60.78 -34.63 74.77 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.05 -1.031 . . . . 0.0 110.028 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -61.44 -48.19 82.27 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.544 1.137 . . . . 0.0 110.416 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -57.16 -42.95 82.04 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.862 0.755 . . . . 0.0 110.705 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -67.02 -46.79 73.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 119.031 -0.509 . . . . 0.0 109.732 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.6 mt -59.56 -36.48 76.29 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.065 0.946 . . . . 0.0 111.883 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -57.46 -49.95 74.6 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.274 1.029 . . . . 0.0 109.903 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -77.41 -32.27 54.59 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.575 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -59.32 5.23 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -65.51 -12.89 56.95 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-N 120.174 1.352 . . . . 0.0 110.352 -179.094 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.5 m120 . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.0 mt -39.95 -57.13 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 125.841 1.656 . . . . 0.0 114.122 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.3 t -58.37 -49.39 77.4 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.721 -0.657 . . . . 0.0 111.509 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.58 -39.86 85.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 119.18 0.9 . . . . 0.0 110.917 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -63.27 -62.71 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.9 ptt85 -57.51 -30.1 64.87 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.764 0.711 . . . . 0.0 112.77 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.07 -26.51 65.87 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 117.949 -1.024 . . . . 0.0 112.106 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.16 -39.07 16.8 Favored Glycine 0 C--N 1.342 0.872 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.7 mt -55.71 -44.76 77.76 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 124.607 1.163 . . . . 0.0 111.698 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -63.17 -38.05 89.65 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 123.438 0.461 . . . . 0.0 110.83 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 m -67.69 -37.77 82.75 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.27 -49.34 74.46 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.151 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.0 m -65.65 -35.94 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 119.391 0.996 . . . . 0.0 110.194 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -64.45 -24.7 67.71 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.288 1.035 . . . . 0.0 111.528 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -105.8 8.37 32.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.598 1.559 . . . . 0.0 110.469 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 60.58 12.82 3.82 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.491 2.316 . . . . 0.0 114.04 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.58 -20.33 63.18 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.642 1.577 . . . . 0.0 110.864 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.2 t -153.34 -177.62 6.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.193 1.797 . . . . 0.0 107.597 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.2 m -146.31 143.92 29.46 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -52.49 -41.68 63.61 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.91 1.686 . . . . 0.0 112.562 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.03 -43.98 97.68 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.458 0.703 . . . . 0.0 110.592 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -62.86 -47.13 84.67 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.647 1.179 . . . . 0.0 109.26 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 80.6 mt -58.1 -49.96 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.28 83.38 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 122.13 -0.356 . . . . 0.0 110.876 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.45 -53.43 54.93 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 122.848 0.459 . . . . 0.0 110.237 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.67 -47.71 74.56 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.661 0.784 . . . . 0.0 113.089 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.6 p -72.46 -21.45 61.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 118.95 0.796 . . . . 0.0 113.147 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.18 -2.12 87.55 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 mt -78.74 169.41 18.28 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 119.258 1.529 . . . . 0.0 109.413 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.1 t -83.75 147.14 27.79 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -60.94 -31.2 70.75 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.69 -29.71 63.01 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-O 118.81 -0.994 . . . . 0.0 111.706 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.6 m -70.08 -50.95 35.77 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.557 1.178 . . . . 0.0 111.645 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.7 mt -53.93 -51.49 44.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 123.244 0.618 . . . . 0.0 111.314 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.9 p -60.08 -43.04 95.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 118.043 0.383 . . . . 0.0 110.574 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -42.73 98.24 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.531 0.733 . . . . 0.0 110.143 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -62.69 -47.7 82.5 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.402 0.681 . . . . 0.0 109.4 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.05 -45.25 99.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 123.664 0.785 . . . . 0.0 109.375 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.93 -17.3 64.24 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.202 1.401 . . . . 0.0 111.48 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 t70 66.38 56.9 0.75 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.969 2.108 . . . . 0.0 105.606 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.427 ' HE3' ' HA ' ' A' ' 42' ' ' LYS . 0.5 OUTLIER -136.39 -1.14 2.36 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 128.095 2.558 . . . . 0.0 112.952 -178.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -77.76 106.19 9.42 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -82.25 -0.01 43.37 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.096 0.958 . . . . 0.0 112.029 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.75 -158.34 21.63 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -75.65 92.24 2.95 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -56.22 -39.58 72.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.486 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -67.68 -44.0 78.81 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 118.847 0.749 . . . . 0.0 109.935 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -56.29 -43.28 78.7 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.18 -0.95 . . . . 0.0 109.023 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.8 t -69.59 -48.88 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 118.125 -0.941 . . . . 0.0 109.052 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.3 p -54.01 -47.7 71.23 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.224 0.92 . . . . 0.0 110.572 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -61.38 -33.01 72.94 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.313 1.045 . . . . 0.0 111.627 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.1 m -73.3 -41.66 63.31 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.1 mt -67.9 -37.17 81.39 Favored 'General case' 0 C--O 1.227 -0.11 0 C-N-CA 123.674 0.789 . . . . 0.0 109.348 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -56.8 -58.4 8.27 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 126.523 1.929 . . . . 0.0 109.24 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.1 mtt-85 -56.1 -36.42 68.14 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -67.63 -48.77 65.79 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -36.75 83.61 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.703 0.801 . . . . 0.0 111.037 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -56.93 -49.56 75.25 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.5 1.52 . . . . 0.0 108.831 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -72.74 -31.73 65.17 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.088 0.858 . . . . 0.0 111.012 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -51.51 68.89 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.327 0.512 . . . . 0.0 109.927 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -77.88 5.12 10.29 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.789 0 CA-C-N 120.943 1.701 . . . . 0.0 109.852 -179.331 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.5 mt -54.76 -32.68 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.506 0.722 . . . . 0.0 111.442 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -60.68 -31.38 70.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -81.37 -36.01 30.14 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 118.528 0.604 . . . . 0.0 110.308 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.54 -49.12 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -71.51 -24.02 61.89 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -51.08 67.78 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 119.242 0.928 . . . . 0.0 111.913 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.03 -42.31 54.26 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-O 122.026 0.792 . . . . 0.0 112.859 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.1 mt -59.23 -34.98 72.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 118.536 -0.745 . . . . 0.0 112.573 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -65.72 -45.96 80.73 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -58.99 -41.41 87.56 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 124.175 0.99 . . . . 0.0 110.481 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.32 -44.49 79.02 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.878 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.54 -33.21 55.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 118.872 -1.131 . . . . 0.0 110.875 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.12 -34.24 73.24 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.105 1.362 . . . . 0.0 110.801 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -97.28 6.59 48.12 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.62 1.168 . . . . 0.0 111.684 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 59.72 18.6 7.37 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.256 1.822 . . . . 0.0 112.355 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.6 -23.42 67.26 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 126.124 1.77 . . . . 0.0 110.123 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -155.68 172.48 18.23 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 124.258 1.023 . . . . 0.0 109.569 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.0 p -139.38 164.06 30.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.551 1.14 . . . . 0.0 109.725 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -58.4 -38.28 77.02 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.166 178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -72.01 -47.1 54.37 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.284 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -60.17 -48.04 83.39 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.659 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.9 mt -57.34 -50.05 78.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.39 89.97 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.151 0.98 . . . . 0.0 112.299 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.2 tp -67.41 -35.5 79.4 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 123.959 0.904 . . . . 0.0 111.688 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.47 -49.29 13.7 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 122.754 0.422 . . . . 0.0 110.841 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.6 p -74.06 -14.64 61.03 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.58 1.77 46.67 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.9 mt -82.25 164.44 21.18 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.2 m -82.85 148.74 27.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -56.95 -34.08 67.67 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.22 -37.01 80.67 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 118.791 0.723 . . . . 0.0 111.509 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.5 m -62.64 -47.28 84.4 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 118.291 -0.862 . . . . 0.0 111.866 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.6 mt -56.43 -53.87 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 119.94 1.246 . . . . 0.0 111.262 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 p -62.83 -39.67 95.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 119.293 -0.384 . . . . 0.0 111.689 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -63.68 -45.34 90.51 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -59.4 -49.25 78.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.096 1.358 . . . . 0.0 109.934 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.6 mt -60.68 -42.52 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 118.586 0.63 . . . . 0.0 109.897 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -75.42 2.05 12.41 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 117.214 -1.374 . . . . 0.0 113.14 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 57.88 44.86 19.29 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 120.659 1.572 . . . . 0.0 108.025 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.01 -6.26 7.86 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 127.349 2.26 . . . . 0.0 113.925 -178.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -80.82 157.63 25.66 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 120.725 1.602 . . . . 0.0 109.882 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -152.09 103.71 2.91 Favored 'General case' 0 CA--C 1.52 -0.192 0 O-C-N 120.982 -1.074 . . . . 0.0 108.761 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.01 107.69 0.99 Allowed Glycine 0 C--O 1.224 -0.507 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 55.98 39.33 30.54 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.034 0.917 . . . . 0.0 111.156 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -58.85 -34.6 71.76 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.108 -0.995 . . . . 0.0 110.008 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -67.2 -33.63 75.79 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.698 1.599 . . . . 0.0 110.013 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -65.31 -50.77 64.39 Favored 'General case' 0 C--N 1.341 0.198 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.26 -52.74 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.381 1.472 . . . . 0.0 110.706 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.4 p -53.83 -47.93 70.43 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.001 0.819 . . . . 0.0 110.272 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -64.24 -35.91 82.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.41 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.7 m -69.28 -36.8 77.43 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.0 mt -67.9 -32.39 72.83 Favored 'General case' 0 C--N 1.343 0.317 0 O-C-N 121.422 -0.799 . . . . 0.0 109.836 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -49.48 77.46 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.319 0.648 . . . . 0.0 111.044 178.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.7 mtt85 -59.53 -38.09 80.1 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 122.234 -0.291 . . . . 0.0 110.929 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 50.4 t90 -69.36 -42.43 75.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 118.969 -0.539 . . . . 0.0 110.12 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -36.27 83.23 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.179 0.899 . . . . 0.0 109.625 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -59.42 -46.34 88.99 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 117.153 -1.404 . . . . 0.0 109.533 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -72.34 -31.83 65.98 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.79 1.177 . . . . 0.0 111.319 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -52.24 53.45 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -92.32 2.72 56.47 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.92 0 CA-C-N 121.759 2.072 . . . . 0.0 109.889 178.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.6 m120 . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 121.724 0.773 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 mt -51.99 -42.79 35.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 125.135 1.374 . . . . 0.0 111.803 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 p -65.86 -43.53 88.15 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.347 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.88 -43.08 85.84 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 123.922 0.889 . . . . 0.0 110.387 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.03 -56.66 15.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 124.903 1.281 . . . . 0.0 108.324 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -63.58 -35.29 80.0 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 119.324 -0.95 . . . . 0.0 111.079 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.84 -17.67 65.0 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.193 0.997 . . . . 0.0 112.175 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.7 -56.23 2.15 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.5 mt -52.53 -33.58 45.97 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.907 1.683 . . . . 0.0 113.473 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -50.99 -47.98 61.41 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -57.47 -48.58 78.8 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.33 1.452 . . . . 0.0 110.296 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.36 -38.05 68.31 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.179 1.392 . . . . 0.0 113.397 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.5 m -82.17 -24.97 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 118.889 -1.124 . . . . 0.0 112.313 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -74.1 -34.91 64.11 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.81 -0.02 56.95 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.708 1.603 . . . . 0.0 112.46 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 56.96 28.67 15.07 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.765 1.226 . . . . 0.0 112.326 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.33 -12.12 48.71 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.925 1.69 . . . . 0.0 110.56 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 t -173.86 -171.21 0.63 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 129.957 3.303 . . . . 0.0 105.828 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -137.11 162.06 34.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 127.113 2.165 . . . . 0.0 106.44 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -60.04 -37.15 78.94 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -67.72 -43.52 79.8 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.94 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -66.44 -42.45 87.66 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.768 0.713 . . . . 0.0 109.451 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.6 -47.22 91.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.226 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.57 83.86 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 119.007 0.821 . . . . 0.0 110.606 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.13 -54.28 46.49 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.709 0.803 . . . . 0.0 111.476 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -72.75 -41.79 64.73 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 124.591 1.157 . . . . 0.0 113.963 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.1 p -73.77 -31.03 63.11 Favored 'General case' 0 C--N 1.333 -0.141 0 O-C-N 121.466 -0.771 . . . . 0.0 111.534 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.04 -4.41 62.8 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.0 mt -76.87 -174.04 2.91 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.902 1.681 . . . . 0.0 109.655 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -105.08 149.89 25.46 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 m -59.55 -34.43 72.67 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.452 1.101 . . . . 0.0 109.634 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.18 -50.94 54.36 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.6 m -51.9 -55.58 19.3 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.712 2.005 . . . . 0.0 112.935 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.0 mt -54.06 -55.87 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 123.57 0.748 . . . . 0.0 112.763 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -64.06 -32.11 73.54 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.883 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t -70.31 -31.72 69.16 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.686 0.675 . . . . 0.0 109.455 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -66.94 -53.05 35.63 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.9 mt -62.16 -42.66 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 123.353 0.661 . . . . 0.0 111.355 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -72.78 -3.54 25.96 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.565 0.62 . . . . 0.0 110.849 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 53.93 52.41 12.97 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 126.979 2.111 . . . . 0.0 108.627 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -127.51 -15.5 5.04 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 126.55 1.94 . . . . 0.0 111.724 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -70.55 142.6 51.76 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -142.38 84.02 1.85 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.03 88.76 0.07 OUTLIER Glycine 0 C--N 1.33 0.2 0 O-C-N 121.188 -0.945 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 60.29 53.68 4.27 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.962 1.305 . . . . 0.0 110.201 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.78 -31.71 72.52 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 124.475 1.11 . . . . 0.0 110.854 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -65.1 -35.64 81.77 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.93 0.872 . . . . 0.0 109.945 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -67.54 -35.53 79.24 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.43 -51.71 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 117.816 -1.088 . . . . 0.0 108.064 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.0 p -54.59 -45.14 73.54 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-N 119.798 1.181 . . . . 0.0 111.021 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -60.45 -36.34 77.99 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.597 0.635 . . . . 0.0 111.476 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -70.5 -39.62 74.04 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.98 -38.38 88.4 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 118.545 -0.74 . . . . 0.0 109.353 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -53.92 51.42 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 124.184 0.994 . . . . 0.0 110.351 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.28 -32.75 62.64 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -78.2 -48.69 15.28 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.99 -36.25 78.95 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.322 1.049 . . . . 0.0 111.252 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -55.48 -44.22 76.29 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.023 1.329 . . . . 0.0 110.061 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -82.72 -31.57 28.42 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.269 -0.895 . . . . 0.0 111.528 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -62.66 1.32 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.1 0.56 . . . . 0.0 109.989 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -74.9 -29.96 61.14 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.171 1.389 . . . . 0.0 111.977 -179.633 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 . . . . . 0 N--CA 1.471 0.575 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 mt -53.08 -41.9 43.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 118.488 0.586 . . . . 0.0 109.961 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.9 p -56.52 -29.35 61.77 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.264 1.025 . . . . 0.0 113.374 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -81.65 -32.63 31.79 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 123.875 0.87 . . . . 0.0 111.723 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.6 mt -63.86 -60.84 2.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 124.167 0.987 . . . . 0.0 108.383 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.1 ptt85 -60.27 -34.63 74.0 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.32 -14.53 61.0 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 117.948 -1.025 . . . . 0.0 113.516 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.03 -48.83 3.01 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.4 mt -52.76 -34.62 53.85 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.68 1.192 . . . . 0.0 112.918 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -61.16 -44.21 97.66 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.729 0.412 . . . . 0.0 109.897 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -62.82 -39.37 94.08 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.879 1.272 . . . . 0.0 108.858 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -51.77 68.3 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.077 1.351 . . . . 0.0 110.32 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.89 -30.6 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 O-C-N 121.911 -0.493 . . . . 0.0 112.051 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.2 -36.36 79.68 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 121.357 -0.839 . . . . 0.0 110.787 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -97.21 8.81 43.79 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.199 1.4 . . . . 0.0 111.692 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 56.57 24.1 8.37 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.346 1.858 . . . . 0.0 112.372 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.96 -29.72 67.37 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 125.52 1.528 . . . . 0.0 110.184 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -163.29 -179.72 6.79 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.619 1.567 . . . . 0.0 106.866 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.2 m -138.4 159.55 41.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -52.44 -38.43 59.18 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.226 0.61 . . . . 0.0 111.177 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.04 -52.57 64.73 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 123.985 0.914 . . . . 0.0 110.42 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -64.81 -52.26 57.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 117.401 -1.285 . . . . 0.0 109.192 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.7 mt -51.27 -45.46 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 120.359 1.436 . . . . 0.0 109.478 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.23 -45.54 84.25 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.376 1.07 . . . . 0.0 111.617 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.84 -41.02 99.18 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.922 0.489 . . . . 0.0 110.211 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.05 -39.93 87.0 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.626 1.571 . . . . 0.0 111.992 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.9 p -93.86 -8.04 41.5 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.3 5.34 62.56 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.862 1.22 . . . . 0.0 111.043 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.9 mt -82.16 171.94 13.74 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.089 1.444 . . . . 0.0 108.677 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.97 145.57 27.06 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.7 p -61.12 -35.01 75.88 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.309 -0.869 . . . . 0.0 113.088 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.41 -21.18 79.21 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-N 119.14 0.882 . . . . 0.0 112.6 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.9 m -70.21 -53.83 15.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 118.107 0.953 . . . . 0.0 109.898 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.2 mt -54.29 -51.8 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 C-N-CA 124.166 0.986 . . . . 0.0 110.833 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.4 p -60.47 -39.29 87.09 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 111.527 0.195 . . . . 0.0 111.527 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 t -67.55 -43.83 79.77 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.61 0.364 . . . . 0.0 110.268 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.1 -48.44 76.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 126.126 1.77 . . . . 0.0 109.136 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.5 -32.91 52.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 124.582 1.153 . . . . 0.0 111.535 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -88.16 1.79 53.6 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.642 1.177 . . . . 0.0 112.129 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.94 35.32 16.32 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 128.489 2.716 . . . . 0.0 110.924 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -120.86 5.31 10.46 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.15 1.38 . . . . 0.0 114.072 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -70.16 98.76 1.39 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 120.458 1.481 . . . . 0.0 108.589 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -79.46 71.09 6.01 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.9 -165.17 18.33 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 125.414 1.483 . . . . 0.0 109.595 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -71.56 87.97 0.92 Allowed 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.205 1.402 . . . . 0.0 109.179 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -70.81 -31.35 68.07 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 117.031 -1.461 . . . . 0.0 111.319 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -59.33 -35.08 73.18 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 119.313 0.961 . . . . 0.0 110.318 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -74.09 -45.37 49.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 82.5 t -61.34 -49.94 82.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.062 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.7 p -54.32 -54.01 46.15 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.113 0.965 . . . . 0.0 108.523 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -56.18 -40.47 74.01 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 117.541 -1.219 . . . . 0.0 112.637 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.6 m -69.77 -38.36 76.71 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 120.144 1.338 . . . . 0.0 109.27 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.75 -32.03 72.36 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 117.651 -1.166 . . . . 0.0 109.836 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -61.01 -51.77 67.82 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.759 1.163 . . . . 0.0 109.589 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -56.82 -46.16 81.83 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -60.94 -47.28 87.17 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.647 0.379 . . . . 0.0 110.197 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.99 -35.97 82.44 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.029 1.331 . . . . 0.0 111.811 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -60.93 -40.49 93.4 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -78.38 -37.83 43.24 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 119.179 0.899 . . . . 0.0 110.147 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.44 -49.0 77.65 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 119.03 0.832 . . . . 0.0 110.685 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -75.58 0.26 18.03 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.203 0 CA-C-N 120.754 1.615 . . . . 0.0 109.932 -179.244 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.3 mt -52.7 -39.03 29.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 124.244 1.018 . . . . 0.0 109.423 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 t -60.52 -35.53 76.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.639 1.176 . . . . 0.0 110.881 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -72.58 -33.25 66.62 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 120.843 -1.16 . . . . 0.0 110.58 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.17 -54.83 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -59.93 -41.8 92.56 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.656 -0.418 . . . . 0.0 109.945 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.18 -13.83 51.18 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.863 1.265 . . . . 0.0 113.498 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.72 -52.78 1.76 Allowed Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 107.027 -2.429 . . . . 0.0 107.027 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.4 mt -52.94 -35.53 58.74 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.447 1.099 . . . . 0.0 112.143 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -57.11 -46.95 82.19 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.7 m -57.95 -45.13 87.13 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.047 0.939 . . . . 0.0 110.014 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.74 -45.59 93.71 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.887 0.875 . . . . 0.0 111.198 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.4 m -77.75 -34.24 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 119.684 1.129 . . . . 0.0 112.092 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.88 -32.46 74.18 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 121.078 -1.014 . . . . 0.0 112.356 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -99.45 14.83 28.44 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.735 0.698 . . . . 0.0 111.402 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 52.8 38.8 27.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.386 1.474 . . . . 0.0 110.434 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.95 -44.14 41.37 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -151.91 144.65 24.32 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.3 p -88.74 165.42 14.73 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.91 0.386 . . . . 0.0 110.202 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -57.12 -37.48 72.03 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -63.0 -53.28 56.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.3 1.04 . . . . 0.0 109.562 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.514 HE21 ' HG3' ' A' ' 27' ' ' GLU . 50.0 tp60 -59.64 -45.2 92.69 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.543 -0.741 . . . . 0.0 111.343 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.59 -45.65 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.29 97.47 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 121.369 -0.832 . . . . 0.0 111.309 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -59.15 -43.95 92.07 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 124.662 1.185 . . . . 0.0 110.054 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.514 ' HG3' HE21 ' A' ' 23' ' ' GLN . 66.3 mt-10 -76.75 -44.61 32.42 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.406 1.083 . . . . 0.0 112.88 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.7 p -78.24 -12.88 60.03 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.81 2.39 81.32 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 121.203 -0.935 . . . . 0.0 111.325 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.7 mt -85.24 -175.3 5.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.6 t -104.78 153.11 21.74 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.6 p -58.79 -42.11 88.3 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.43 -53.01 49.74 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-O 117.95 -1.472 . . . . 0.0 109.459 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.6 m -45.89 -55.34 6.83 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 124.963 1.305 . . . . 0.0 110.601 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.2 mt -55.65 -57.18 8.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 C-N-CA 124.131 0.972 . . . . 0.0 110.959 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 p -56.97 -37.48 71.66 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -44.0 68.07 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.077 1.351 . . . . 0.0 110.669 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.62 -38.46 81.38 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 126.311 1.844 . . . . 0.0 109.953 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.77 -52.02 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 C-N-CA 124.853 1.261 . . . . 0.0 108.485 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -71.85 13.51 0.28 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 61.52 15.46 6.74 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.377 -1.452 . . . . 0.0 112.936 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -93.73 -23.52 18.18 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 120.5 -1.375 . . . . 0.0 113.034 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -64.92 145.71 55.94 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 120.095 1.316 . . . . 0.0 109.124 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -150.59 146.06 26.3 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.531 1.132 . . . . 0.0 108.058 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.52 -97.37 0.29 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 107.261 -2.336 . . . . 0.0 107.261 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -125.06 66.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.938 1.695 . . . . 0.0 109.857 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -54.34 -32.11 55.98 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 114.36 -1.291 . . . . 0.0 110.83 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -66.11 -34.53 78.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.312 1.845 . . . . 0.0 110.624 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -75.23 -39.89 59.53 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 119.418 -2.052 . . . . 0.0 108.325 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.3 -47.78 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 81.5 p -57.71 -50.1 74.32 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -58.39 -39.25 79.15 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.42 0.688 . . . . 0.0 111.622 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.1 m -65.2 -38.79 91.56 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.03 -44.04 73.51 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.31 -0.853 . . . . 0.0 108.821 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.36 -47.38 66.15 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 124.098 0.959 . . . . 0.0 111.502 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -61.27 -42.97 99.53 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 118.76 0.709 . . . . 0.0 111.584 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -63.47 -49.73 72.47 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.808 0.843 . . . . 0.0 109.303 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -36.44 75.2 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 126.296 1.839 . . . . 0.0 112.303 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.58 -43.9 95.65 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.514 1.126 . . . . 0.0 110.558 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -31.13 57.28 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.72 1.145 . . . . 0.0 109.466 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -58.12 9.18 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 118.726 -0.654 . . . . 0.0 110.107 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -82.59 9.93 8.42 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.144 0 O-C-N 120.358 -1.464 . . . . 0.0 107.398 179.353 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.6 mm -52.54 -44.89 46.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 124.071 0.948 . . . . 0.0 110.373 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.1 t -60.99 -45.09 96.19 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 119.144 -0.455 . . . . 0.0 110.327 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.33 -42.18 98.94 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.628 0.771 . . . . 0.0 110.671 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.83 -57.13 10.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 C-N-CA 125.526 1.53 . . . . 0.0 107.055 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -67.61 -31.28 71.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.272 0.942 . . . . 0.0 112.29 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.84 -40.28 75.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 119.028 0.831 . . . . 0.0 110.973 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.17 -46.65 78.27 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.2 mt -56.96 -46.93 81.79 Favored 'General case' 0 CA--C 1.516 -0.327 0 O-C-N 121.905 -0.762 . . . . 0.0 112.313 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.23 -40.6 94.64 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.765 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -65.23 -42.77 93.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 119.161 0.892 . . . . 0.0 109.644 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.91 -46.85 89.03 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.702 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -75.23 -30.68 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 120.603 1.547 . . . . 0.0 112.176 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -67.77 -23.01 65.17 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.746 0.818 . . . . 0.0 111.852 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -108.8 11.38 26.29 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 125.803 1.641 . . . . 0.0 110.91 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 60.66 14.88 5.31 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.13 1.772 . . . . 0.0 113.503 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.9 -23.48 67.24 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.026 1.33 . . . . 0.0 111.686 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.8 t -153.03 -175.62 5.41 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.947 2.099 . . . . 0.0 108.471 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.4 m -147.84 152.45 37.66 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -52.61 -41.81 64.03 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.336 0.971 . . . . 0.0 112.235 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -64.57 -37.8 88.79 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-O 118.988 -0.53 . . . . 0.0 110.931 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -67.13 -48.32 68.41 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.3 mt -55.49 -46.58 78.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.6 84.85 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.126 0.876 . . . . 0.0 111.918 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.76 -46.97 87.54 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.653 0.781 . . . . 0.0 112.194 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -74.8 -44.41 49.59 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.616 0.766 . . . . 0.0 112.083 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.8 p -73.0 -31.7 64.66 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.229 -0.919 . . . . 0.0 112.065 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.1 0.63 80.45 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 125.829 1.68 . . . . 0.0 110.666 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.4 mt -88.71 167.82 13.01 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.729 1.265 . . . . 0.0 108.551 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -76.19 154.31 35.44 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.4 p -61.04 -36.36 79.35 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.85 -46.32 93.85 Favored Glycine 0 C--N 1.339 0.744 0 CA-C-O 118.316 -1.269 . . . . 0.0 110.759 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.7 m -52.2 -52.2 53.61 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.323 1.049 . . . . 0.0 110.276 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.7 mt -54.2 -56.93 7.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 124.014 0.926 . . . . 0.0 110.12 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 p -57.67 -39.9 78.16 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -46.35 80.31 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 122.999 0.519 . . . . 0.0 111.494 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.8 -44.66 86.45 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.927 1.291 . . . . 0.0 109.958 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.7 mt -65.09 -45.7 93.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -75.55 0.62 16.71 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t70 60.36 30.28 19.68 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.787 1.176 . . . . 0.0 109.768 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -117.68 4.75 12.31 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.284 1.834 . . . . 0.0 113.353 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -63.06 155.54 27.45 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.251 0.932 . . . . 0.0 110.258 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -56.06 -50.91 69.65 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.381 1.073 . . . . 0.0 113.204 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.88 -177.75 32.8 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 61.04 38.88 16.93 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 123.154 1.454 . . . . 0.0 108.565 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -53.47 -31.2 44.66 Favored 'General case' 0 C--N 1.339 0.119 0 C-N-CA 127.304 2.241 . . . . 0.0 112.418 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -59.99 -34.14 72.91 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -68.97 -34.51 75.43 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.376 -1.452 . . . . 0.0 109.083 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.16 -52.97 25.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 124.353 1.061 . . . . 0.0 109.637 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.3 p -51.8 -50.41 60.82 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.475 1.11 . . . . 0.0 111.544 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -61.3 -29.55 69.94 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.725 0.81 . . . . 0.0 112.351 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.5 m -79.72 -37.91 34.54 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.6 mt -73.23 -31.25 64.03 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.973 1.309 . . . . 0.0 110.539 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -58.92 6.53 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.795 1.238 . . . . 0.0 108.46 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -55.78 -39.99 72.04 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 118.988 -0.529 . . . . 0.0 111.862 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -62.85 -48.28 79.74 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 123.926 0.766 . . . . 0.0 110.685 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -39.76 78.35 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.22 -41.68 89.22 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.431 0.457 . . . . 0.0 109.786 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -31.41 61.76 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-O 119.138 -0.458 . . . . 0.0 110.193 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -48.74 80.49 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -74.22 8.54 2.1 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.49 0.716 . . . . 0.0 112.708 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 C-N-CA 126.028 1.731 . . . . 0.0 107.006 179.366 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.2 m120 . . . . . 0 CA--C 1.514 -0.424 0 CA-C-O 122.222 1.01 . . . . 0.0 108.703 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 mt -58.53 -32.82 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.662 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.1 m -62.6 -34.75 77.65 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.295 1.038 . . . . 0.0 109.903 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -71.84 -42.4 66.99 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 119.66 1.118 . . . . 0.0 109.676 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -52.03 -56.61 5.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 C-N-CA 124.247 1.019 . . . . 0.0 108.853 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 ptt-85 -67.67 -31.61 71.71 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 118.42 -0.8 . . . . 0.0 111.972 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.77 88.89 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 119.149 0.886 . . . . 0.0 111.431 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.57 93.65 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.3 -34.12 75.99 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.742 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -57.93 -50.76 72.24 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -54.2 -47.57 71.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.0 1.32 . . . . 0.0 109.919 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.21 -49.14 74.94 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.419 0.688 . . . . 0.0 111.373 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -77.64 -32.39 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 118.184 -0.913 . . . . 0.0 113.26 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.23 -33.55 76.07 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.216 1.406 . . . . 0.0 109.51 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -97.75 11.38 37.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.4 1.08 . . . . 0.0 110.363 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 47.3 29.68 1.31 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.32 2.248 . . . . 0.0 113.532 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -59.57 -36.52 76.38 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.943 1.697 . . . . 0.0 108.021 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 t -153.99 175.6 13.19 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 125.425 1.49 . . . . 0.0 107.852 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.96 153.52 37.17 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.145 1.778 . . . . 0.0 106.774 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -52.12 -39.25 59.58 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.707 1.139 . . . . 0.0 112.631 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -50.98 67.64 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.045 0.938 . . . . 0.0 111.405 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -63.48 -38.84 92.68 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.993 -0.527 . . . . 0.0 109.92 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 69.7 mt -58.99 -46.05 91.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.67 -49.36 77.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.287 0.949 . . . . 0.0 111.399 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.9 tp -54.4 -51.22 65.55 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.221 1.008 . . . . 0.0 111.21 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -79.9 -23.03 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.4 p -93.03 -21.08 19.95 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.676 1.126 . . . . 0.0 112.207 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.54 -0.92 78.21 Favored Glycine 0 CA--C 1.536 1.402 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.0 mt -89.17 -172.68 3.75 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.531 1.532 . . . . 0.0 107.187 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 t -115.81 148.86 39.42 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -50.92 61.85 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.458 1.503 . . . . 0.0 110.42 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.6 -38.44 87.67 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 119.151 -0.805 . . . . 0.0 111.963 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.3 m -67.3 -54.33 21.73 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.595 1.158 . . . . 0.0 109.756 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.9 mt -54.02 -54.28 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.118 0.967 . . . . 0.0 109.611 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -54.79 -44.17 73.51 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 123.962 0.905 . . . . 0.0 110.071 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -69.81 -37.73 76.36 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.358 0.526 . . . . 0.0 111.517 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -61.99 -45.77 92.17 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.78 -47.88 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -70.38 1.05 5.42 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.625 1.17 . . . . 0.0 112.135 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.06 -1.64 1.38 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 127.129 2.172 . . . . 0.0 112.148 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -71.89 -25.44 61.93 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 127.824 2.449 . . . . 0.0 115.121 -177.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -63.76 149.09 47.57 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -153.96 97.4 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.89 92.94 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 49.05 47.38 21.92 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.748 1.219 . . . . 0.0 110.04 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -55.76 -31.46 62.59 Favored 'General case' 0 C--O 1.23 0.054 0 C-N-CA 124.188 0.995 . . . . 0.0 113.497 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.8 -36.75 84.94 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.406 1.003 . . . . 0.0 109.628 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -63.21 -37.92 89.13 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.4 t -65.02 -52.65 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 117.362 -1.304 . . . . 0.0 108.11 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.4 p -54.81 -51.99 64.09 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 120.044 1.293 . . . . 0.0 110.234 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -55.76 -40.23 72.29 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.004 0.922 . . . . 0.0 111.488 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.0 m -68.66 -37.66 79.81 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.524 0.602 . . . . 0.0 110.084 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.5 mt -67.13 -36.32 81.64 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 118.267 -0.873 . . . . 0.0 109.168 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -57.7 -50.33 73.56 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 123.304 0.642 . . . . 0.0 109.697 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -58.51 -44.14 89.36 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 122.349 0.26 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -64.09 -45.7 87.55 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 118.688 -0.672 . . . . 0.0 109.499 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.61 -37.22 85.41 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 123.932 0.893 . . . . 0.0 110.823 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.91 -42.27 98.89 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.749 0.82 . . . . 0.0 108.834 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -72.94 -30.41 63.84 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.339 -0.851 . . . . 0.0 110.712 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -61.63 1.82 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.735 1.214 . . . . 0.0 113.2 -179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -67.22 -14.82 63.27 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 117.329 2.344 . . . . 0.0 117.329 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.954 0 CA-C-N 120.798 1.635 . . . . 0.0 111.09 -179.359 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.6 p-10 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.4 mt -49.84 -40.84 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 124.668 1.187 . . . . 0.0 112.005 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 m -65.51 -41.99 92.55 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.158 0.583 . . . . 0.0 112.484 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -74.15 -38.08 63.84 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.247 0.93 . . . . 0.0 109.426 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -51.7 -55.29 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 ptt-85 -67.73 -27.23 66.62 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 118.413 -0.803 . . . . 0.0 112.18 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.46 -30.35 69.61 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.205 0.912 . . . . 0.0 111.587 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.81 -42.9 19.55 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.4 mt -58.6 -42.79 88.95 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 118.314 -0.851 . . . . 0.0 112.911 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -55.72 -44.09 77.14 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 124.124 0.89 . . . . 0.0 109.333 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -57.92 -48.43 79.92 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.35 0.977 . . . . 0.0 110.516 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.37 -46.88 85.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.978 0.911 . . . . 0.0 111.497 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.63 -32.4 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 121.06 -1.025 . . . . 0.0 112.245 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.33 -24.79 67.36 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.875 1.27 . . . . 0.0 111.935 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -109.21 10.92 25.72 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.646 0.778 . . . . 0.0 111.871 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 56.31 24.03 7.85 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.637 1.975 . . . . 0.0 112.655 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.26 -22.52 66.92 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 126.577 1.951 . . . . 0.0 113.057 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -157.82 -166.57 2.02 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 127.8 2.44 . . . . 0.0 105.263 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 m -144.64 151.86 39.61 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 120.403 -1.436 . . . . 0.0 107.581 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -52.53 -34.42 49.82 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.567 1.076 . . . . 0.0 112.432 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -62.84 -47.0 85.29 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 118.215 0.461 . . . . 0.0 111.316 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.63 -43.71 88.68 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.024 -0.989 . . . . 0.0 108.945 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 54.6 mt -56.8 -47.56 82.61 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.2 71.03 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.392 1.077 . . . . 0.0 111.276 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.27 -42.26 95.03 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.951 1.3 . . . . 0.0 112.709 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.29 -43.63 50.06 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.071 1.348 . . . . 0.0 111.835 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.8 p -73.52 -36.08 65.67 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.33 -0.856 . . . . 0.0 111.516 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.25 16.95 38.66 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 125.651 1.596 . . . . 0.0 110.206 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.7 mt -104.73 167.17 9.89 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 126.277 1.831 . . . . 0.0 107.578 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 p -88.05 155.29 19.88 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.2 p -59.36 -31.42 69.18 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.026 -1.046 . . . . 0.0 111.954 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.63 -40.68 58.6 Favored Glycine 0 C--N 1.338 0.681 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.1 m -57.65 -52.46 65.32 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 117.726 0.763 . . . . 0.0 110.633 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -56.68 -49.19 79.08 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 C-N-CA 123.31 0.644 . . . . 0.0 109.574 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.3 t -59.24 -44.47 92.35 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.537 0.608 . . . . 0.0 110.978 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -67.66 -30.16 69.63 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.468 -0.77 . . . . 0.0 110.494 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -70.64 -48.63 53.98 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.01 -41.87 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -73.29 -3.81 29.28 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.565 0.746 . . . . 0.0 110.592 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 t70 58.67 19.88 7.21 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.258 2.623 . . . . 0.0 113.101 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -85.12 -27.96 25.89 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 126.377 1.871 . . . . 0.0 112.539 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -60.23 140.58 56.93 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -144.66 108.09 4.61 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.99 92.58 2.19 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-O 118.343 -1.254 . . . . 0.0 110.523 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 107.22 17.63 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 130.591 3.556 . . . . 0.0 110.651 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -55.01 -33.98 63.08 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.345 1.058 . . . . 0.0 110.934 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -68.47 -45.14 73.22 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.947 0.794 . . . . 0.0 109.421 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.3 ttt85 -56.36 -51.2 69.17 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.266 0.626 . . . . 0.0 109.593 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.9 t -62.4 -52.81 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 123.201 0.6 . . . . 0.0 109.947 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.5 p -57.99 -43.29 86.47 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.912 0.778 . . . . 0.0 112.158 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -64.3 -29.07 70.16 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.907 1.23 . . . . 0.0 111.119 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.2 m -74.8 -39.81 61.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.4 mt -71.43 -31.23 66.97 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.731 0.812 . . . . 0.0 109.982 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -58.74 -57.49 12.79 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 124.575 1.15 . . . . 0.0 108.822 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 mtp85 -55.75 -45.11 78.13 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 123.339 0.399 . . . . 0.0 111.113 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.441 ' CZ2' ' CE1' ' A' ' 61' ' ' TYR . 86.0 t90 -58.09 -48.36 80.39 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.603 0.761 . . . . 0.0 111.233 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -37.23 72.74 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.286 1.034 . . . . 0.0 112.131 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.87 -50.19 73.23 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -30.29 70.44 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.343 0.657 . . . . 0.0 111.042 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.441 ' CE1' ' CZ2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -59.6 -31.86 69.87 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.265 -0.897 . . . . 0.0 109.474 178.725 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -111.47 7.93 20.93 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.334 1.854 . . . . 0.0 113.331 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.793 0 CA-C-N 120.098 1.317 . . . . 0.0 109.062 179.792 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 . . . . . 0 N--CA 1.466 0.341 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.4 mt -49.24 -43.53 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.984 1.314 . . . . 0.0 112.691 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -29.0 70.33 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.93 -47.65 36.16 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.362 1.065 . . . . 0.0 108.692 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.0 mt -50.89 -60.53 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 126.127 1.771 . . . . 0.0 108.25 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -64.17 -26.0 68.33 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 118.371 -0.823 . . . . 0.0 112.931 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.63 -20.53 61.96 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.339 0.972 . . . . 0.0 112.098 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.39 -47.18 3.85 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.2 mt -57.76 -34.72 69.85 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.576 -0.955 . . . . 0.0 113.177 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -59.71 -45.35 92.41 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.508 0.595 . . . . 0.0 109.675 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 m -64.22 -42.59 96.5 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.124 1.369 . . . . 0.0 109.014 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -46.77 83.94 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.796 0.838 . . . . 0.0 111.791 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.63 -37.47 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 C-N-CA 118.66 -1.216 . . . . 0.0 111.228 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -63.88 -32.71 74.32 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.31 0.644 . . . . 0.0 110.87 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -92.31 4.8 52.59 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.227 1.011 . . . . 0.0 111.171 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 52.74 33.95 15.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.29 1.036 . . . . 0.0 111.279 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.78 -18.25 64.8 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.79 1.236 . . . . 0.0 109.686 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 t -171.28 -168.21 0.61 Allowed 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 128.925 2.89 . . . . 0.0 106.363 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.5 p -135.56 160.3 38.92 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.885 1.674 . . . . 0.0 107.202 177.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -53.59 -36.22 61.7 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 122.067 -0.396 . . . . 0.0 110.515 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -68.67 -49.68 57.09 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 117.923 -1.037 . . . . 0.0 111.021 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -60.24 -38.22 82.78 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.109 0.868 . . . . 0.0 110.399 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.8 mt -62.66 -47.4 93.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.25 79.89 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.569 0.747 . . . . 0.0 111.472 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.52 -56.64 17.82 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.935 1.294 . . . . 0.0 109.295 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.48 -45.15 84.8 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.836 1.254 . . . . 0.0 113.909 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.2 p -77.69 -19.91 54.54 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.58 -3.11 87.31 Favored Glycine 0 CA--C 1.538 1.474 0 O-C-N 121.234 -0.916 . . . . 0.0 110.921 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.4 mt -82.9 178.27 8.24 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 119.137 1.469 . . . . 0.0 110.023 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 t -91.98 150.2 21.13 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -60.18 -42.93 96.06 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 122.885 0.474 . . . . 0.0 110.467 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.77 -36.15 86.68 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 124.138 0.875 . . . . 0.0 111.586 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.2 m -60.57 -49.26 78.27 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 117.734 0.767 . . . . 0.0 110.187 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.1 mt -54.59 -52.17 43.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 118.657 0.662 . . . . 0.0 110.173 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.0 p -61.25 -44.84 96.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.991 -0.528 . . . . 0.0 111.895 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 t -62.37 -36.4 82.16 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.253 0.621 . . . . 0.0 110.61 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -66.53 -51.02 61.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 121.282 -0.886 . . . . 0.0 109.587 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.47 -42.06 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 123.771 0.828 . . . . 0.0 109.821 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -70.09 -10.08 57.56 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.787 1.235 . . . . 0.0 111.427 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.9 t70 59.99 47.9 9.29 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 128.183 2.593 . . . . 0.0 110.768 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -131.98 -1.97 3.67 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.548 1.939 . . . . 0.0 113.128 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -61.11 135.6 57.81 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 119.5 1.045 . . . . 0.0 111.225 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -113.48 110.18 19.87 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 125.279 1.432 . . . . 0.0 107.223 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 153.58 -145.81 13.54 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 108.66 -1.776 . . . . 0.0 108.66 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -85.36 77.51 9.93 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -53.93 -32.76 54.7 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.693 -0.629 . . . . 0.0 110.085 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.69 -41.67 87.68 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.013 1.325 . . . . 0.0 110.745 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -55.93 -51.92 65.93 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.9 t -58.78 -53.48 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 O-C-N 124.643 1.214 . . . . 0.0 109.193 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -52.09 -54.35 31.34 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.497 1.119 . . . . 0.0 111.313 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -60.36 -37.46 80.78 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.903 -0.498 . . . . 0.0 111.662 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.7 m -68.48 -30.3 69.11 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.385 -0.822 . . . . 0.0 109.894 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.5 mt -76.38 -37.54 57.04 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-O 118.056 -0.973 . . . . 0.0 108.672 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -50.95 -51.84 48.4 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.255 1.022 . . . . 0.0 110.372 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 mmm-85 -56.95 -48.78 77.51 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 123.495 0.718 . . . . 0.0 110.82 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.42 ' CZ2' ' CE1' ' A' ' 61' ' ' TYR . 85.8 t90 -63.6 -44.08 95.02 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 119.543 -0.265 . . . . 0.0 110.834 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.86 -35.39 79.84 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 120.978 -1.076 . . . . 0.0 110.625 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.86 -46.28 88.62 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.318 0.647 . . . . 0.0 109.892 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -31.24 70.97 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.291 0.95 . . . . 0.0 110.102 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.42 ' CE1' ' CZ2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -72.31 -65.66 0.75 Allowed 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -179.442 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -79.21 -3.45 45.8 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 117.582 2.438 . . . . 0.0 117.582 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.413 0 CA-C-N 123.664 2.938 . . . . 0.0 113.151 -178.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.9 p30 . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 119.732 -0.175 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.8 mt -45.54 -48.89 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.626 1.571 . . . . 0.0 113.491 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.5 t -59.94 -38.75 83.31 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.779 0.832 . . . . 0.0 110.873 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.22 -40.86 64.37 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.768 -0.582 . . . . 0.0 109.982 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.09 -57.05 13.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 C-N-CA 124.989 1.316 . . . . 0.0 107.493 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -60.76 -37.77 82.96 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.645 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -36.49 75.78 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-O 118.0 -1.0 . . . . 0.0 111.194 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.04 -44.27 91.78 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.125 -1.59 . . . . 0.0 109.125 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.6 mt -57.26 -34.62 68.82 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.676 -0.897 . . . . 0.0 113.184 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -50.39 -50.33 51.95 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.576 1.15 . . . . 0.0 111.268 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.94 -46.55 88.84 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.055 0.942 . . . . 0.0 110.741 -178.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.92 -41.14 82.05 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.08 0.952 . . . . 0.0 111.354 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.7 m -81.96 -26.68 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 119.794 1.179 . . . . 0.0 111.647 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.46 -39.94 70.62 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 124.384 1.074 . . . . 0.0 111.679 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -88.56 7.36 33.58 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 54.67 29.29 11.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.953 2.501 . . . . 0.0 111.758 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.5 -26.54 67.97 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.144 1.377 . . . . 0.0 110.073 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.4 t -159.88 175.53 12.97 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.009 1.724 . . . . 0.0 108.788 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.1 m -135.25 158.85 43.32 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.208 1.803 . . . . 0.0 107.054 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -52.35 -30.69 29.87 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.212 -0.93 . . . . 0.0 112.411 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -62.67 -53.58 52.4 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 124.644 1.177 . . . . 0.0 110.473 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.416 HE21 ' HG2' ' A' ' 27' ' ' GLU . 37.0 tp60 -66.46 -42.67 87.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.416 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.0 mt -60.91 -46.41 96.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.65 -51.75 67.52 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 124.358 1.063 . . . . 0.0 110.644 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -56.96 -38.44 72.96 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' HG2' HE21 ' A' ' 23' ' ' GLN . 8.4 mm-40 -85.99 -38.01 18.37 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 p -76.19 -35.98 58.85 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.108 0.963 . . . . 0.0 110.899 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.36 -3.64 56.64 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 127.02 2.248 . . . . 0.0 110.673 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.5 mt -85.66 167.28 15.46 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 120.089 1.944 . . . . 0.0 111.074 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 t -75.96 144.92 40.72 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.0 p -56.84 -42.55 79.85 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 110.165 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.54 -37.42 89.67 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-O 118.682 -1.066 . . . . 0.0 111.44 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.7 m -62.11 -51.64 67.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 117.695 -1.145 . . . . 0.0 108.956 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.54 -50.09 74.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 119.705 1.139 . . . . 0.0 109.258 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -59.13 -41.73 88.94 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.509 -0.745 . . . . 0.0 111.595 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.68 -41.0 92.95 Favored 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 120.964 -1.085 . . . . 0.0 108.853 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -57.94 -53.32 59.6 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.761 1.225 . . . . 0.0 109.594 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 25.2 mt -58.11 -46.94 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 120.098 1.317 . . . . 0.0 110.574 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.56 1.36 16.98 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 118.511 -0.757 . . . . 0.0 112.848 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.4 t70 55.46 33.08 20.23 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.085 1.754 . . . . 0.0 112.35 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -100.68 -1.45 35.16 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 126.36 1.864 . . . . 0.0 110.711 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -63.17 159.6 17.23 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 118.167 0.44 . . . . 0.0 111.35 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -60.78 -75.21 0.07 Allowed 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.489 1.116 . . . . 0.0 110.63 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.72 -177.82 47.6 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 106.893 -2.483 . . . . 0.0 106.893 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 63.91 34.48 11.61 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.5 -31.26 61.89 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 126.929 2.092 . . . . 0.0 109.083 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -55.07 -41.35 71.39 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.46 1.504 . . . . 0.0 111.472 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -65.7 -38.03 88.09 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.048 -1.658 . . . . 0.0 109.383 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.33 -52.87 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.1 p -59.03 -47.44 85.22 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 119.343 0.974 . . . . 0.0 110.622 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -57.23 -36.3 70.74 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.611 0.764 . . . . 0.0 110.26 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.8 m -72.82 -36.19 67.46 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.78 -34.95 77.78 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 116.379 -1.772 . . . . 0.0 110.378 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -54.0 -47.62 71.26 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 119.682 1.128 . . . . 0.0 110.134 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -57.58 -40.57 79.29 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.623 0.647 . . . . 0.0 112.432 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -73.1 -50.93 20.03 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.959 -0.463 . . . . 0.0 110.427 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.3 -36.07 79.07 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 124.564 1.146 . . . . 0.0 113.553 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -62.03 -48.37 80.56 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.252 0.621 . . . . 0.0 110.214 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -69.7 -30.99 68.77 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 118.379 0.536 . . . . 0.0 110.495 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.27 -59.34 3.81 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 123.305 0.642 . . . . 0.0 110.516 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -77.37 -1.07 28.18 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.217 0 CA-C-N 120.029 1.286 . . . . 0.0 107.747 179.592 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 120.485 0.183 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 mm -47.1 -46.9 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 126.712 2.005 . . . . 0.0 111.69 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.8 p -64.06 -30.86 71.9 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -79.23 -39.92 31.94 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.27 -54.43 32.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 C-N-CA 125.616 1.566 . . . . 0.0 108.133 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -60.14 -39.36 86.05 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.267 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.21 83.24 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.382 1.073 . . . . 0.0 112.261 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.67 97.9 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.8 mt -61.0 -34.27 74.54 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 122.108 -0.643 . . . . 0.0 112.02 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -48.05 81.35 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 118.092 -0.956 . . . . 0.0 108.813 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 m -54.1 -43.39 70.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.485 0.584 . . . . 0.0 111.915 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.94 -54.36 46.98 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.57 0.748 . . . . 0.0 110.285 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.79 -34.53 61.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.345 -0.847 . . . . 0.0 111.939 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.84 -26.56 68.2 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.323 1.449 . . . . 0.0 111.401 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -105.35 8.35 33.69 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.296 1.438 . . . . 0.0 110.934 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 59.47 19.95 8.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.8 2.04 . . . . 0.0 112.749 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -55.9 -42.69 76.4 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 127.752 2.421 . . . . 0.0 113.939 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 t -154.47 143.55 21.11 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 p -79.39 157.63 27.56 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.422 0.63 . . . . 0.0 110.782 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -54.83 -30.91 58.57 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.963 0.905 . . . . 0.0 110.255 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -72.09 -48.85 40.98 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 126.664 1.986 . . . . 0.0 109.713 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -57.84 -44.83 86.78 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 83.0 mt -56.71 -43.33 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.74 -48.24 77.84 Favored 'General case' 0 C--N 1.339 0.112 0 O-C-N 121.323 -0.861 . . . . 0.0 112.141 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -47.16 86.88 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.372 0.606 . . . . 0.0 109.968 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HB2' ' HE1' ' A' ' 57' ' ' TRP . 17.8 mt-10 -70.54 -42.64 70.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.5 p -76.2 -22.48 55.23 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 119.533 1.06 . . . . 0.0 111.713 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.33 -0.74 89.27 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.288 1.423 . . . . 0.0 111.349 -178.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.2 mt -86.75 165.56 15.95 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.7 p -81.63 163.12 22.78 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 119.45 -0.9 . . . . 0.0 108.627 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -46.61 89.53 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 177.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.69 -44.64 69.34 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-O 118.756 -1.025 . . . . 0.0 111.021 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.2 m -53.36 -55.54 24.03 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.231 0.613 . . . . 0.0 111.557 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.4 mt -53.94 -55.22 15.06 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 C-N-CA 124.336 1.054 . . . . 0.0 111.159 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 p -61.72 -41.71 97.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 t -67.35 -37.62 83.53 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -65.52 -47.47 75.85 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.703 1.201 . . . . 0.0 109.11 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.1 mt -63.89 -37.89 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 118.648 0.658 . . . . 0.0 109.949 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -83.72 4.63 27.94 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.879 0.872 . . . . 0.0 111.204 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 61.82 3.05 0.82 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 129.044 2.938 . . . . 0.0 113.01 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -73.08 -15.26 61.5 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.299 1.839 . . . . 0.0 112.821 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -65.96 91.07 0.14 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 119.95 1.25 . . . . 0.0 112.204 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -87.39 70.29 9.94 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.12 -154.51 6.75 Favored Glycine 0 CA--C 1.519 0.322 0 N-CA-C 108.902 -1.679 . . . . 0.0 108.902 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -73.18 66.57 0.88 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.046 1.738 . . . . 0.0 109.863 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -50.68 -42.46 56.84 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.383 1.873 . . . . 0.0 112.45 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -69.28 -35.56 76.17 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.772 0.714 . . . . 0.0 112.2 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -68.28 -41.41 81.05 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 120.451 -1.405 . . . . 0.0 108.035 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.52 -50.64 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.8 p -55.82 -51.39 67.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.108 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -56.71 -39.82 74.55 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 118.956 0.798 . . . . 0.0 111.225 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.9 m -68.01 -30.73 70.05 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.258 0.481 . . . . 0.0 109.915 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.8 mt -77.1 -32.62 56.74 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.272 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -59.06 -55.15 38.76 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 119.067 0.849 . . . . 0.0 109.396 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -58.37 -41.3 84.44 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.721 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.412 ' HE1' ' HB2' ' A' ' 27' ' ' GLU . 89.4 t90 -61.31 -50.4 73.13 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 119.383 -0.341 . . . . 0.0 110.089 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.44 -37.13 85.98 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.757 0.708 . . . . 0.0 111.453 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.55 -36.0 81.6 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.992 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -31.36 69.18 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 121.422 1.919 . . . . 0.0 109.128 178.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.55 -65.85 0.63 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 125.326 1.45 . . . . 0.0 108.65 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -70.08 -23.24 63.03 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.203 0 C-N-CA 126.204 1.802 . . . . 0.0 110.013 -178.484 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.3 p30 . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.812 0.339 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.5 mt -55.39 -44.47 75.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.108 -0.995 . . . . 0.0 112.764 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 t -62.73 -29.03 70.37 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.376 0.535 . . . . 0.0 110.12 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -77.4 -31.22 53.98 Favored 'General case' 0 N--CA 1.458 -0.071 0 O-C-N 120.72 -1.237 . . . . 0.0 111.225 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.51 -57.39 11.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.0 ptt-85 -58.18 -33.26 69.06 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 118.925 -0.559 . . . . 0.0 112.199 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.99 -26.34 64.41 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 118.776 -0.631 . . . . 0.0 112.518 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.56 -50.15 4.11 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -53.39 -37.27 62.3 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -60.26 -43.64 95.97 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 118.365 0.529 . . . . 0.0 109.671 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.6 m -61.52 -44.72 96.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.515 1.126 . . . . 0.0 109.111 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.53 -41.6 81.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.586 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.56 -33.32 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 119.802 1.183 . . . . 0.0 111.643 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -63.25 -26.4 68.77 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.663 0.785 . . . . 0.0 111.693 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -105.57 11.44 32.39 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.273 1.029 . . . . 0.0 109.491 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 50.58 31.49 5.74 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 127.962 2.505 . . . . 0.0 113.079 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.72 -31.23 72.37 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.364 1.466 . . . . 0.0 111.284 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.3 t -160.26 165.3 31.68 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.7 p -104.68 165.34 11.13 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.934 0.873 . . . . 0.0 111.856 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -57.46 -42.36 82.41 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.54 -45.62 89.73 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 117.735 -1.126 . . . . 0.0 110.749 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -62.87 -48.72 77.81 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 117.835 -1.078 . . . . 0.0 109.91 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.8 mt -55.66 -44.8 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 120.063 1.301 . . . . 0.0 108.609 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.99 93.19 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.616 0.766 . . . . 0.0 112.324 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 tp -64.95 -49.01 72.01 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 123.93 0.892 . . . . 0.0 109.29 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.75 -48.01 83.73 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.02 1.328 . . . . 0.0 110.33 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.4 p -79.51 -12.01 59.88 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.526 0.73 . . . . 0.0 112.855 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.39 12.74 73.32 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.37 0.986 . . . . 0.0 111.228 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.7 mt -87.7 166.51 14.61 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.118 1.459 . . . . 0.0 108.832 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.8 132.75 34.38 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 105.655 -1.98 . . . . 0.0 105.655 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.4 p -50.75 -30.12 13.2 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 121.856 2.117 . . . . 0.0 115.909 -176.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.42 -19.03 77.37 Favored Glycine 0 CA--C 1.539 1.545 0 CA-C-N 122.177 2.262 . . . . 0.0 112.708 178.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.1 m -67.81 -56.54 8.79 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.261 1.53 . . . . 0.0 114.351 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.7 mt -52.98 -57.17 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 C-N-CA 129.451 3.101 . . . . 0.0 108.968 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p -56.41 -43.38 79.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.545 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -66.91 -42.2 85.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.483 0.583 . . . . 0.0 110.808 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -60.21 -50.25 74.41 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.781 1.632 . . . . 0.0 108.623 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.2 mt -62.94 -41.16 91.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.808 0.843 . . . . 0.0 109.733 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -79.02 5.48 11.66 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.129 0.972 . . . . 0.0 113.514 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 61.64 31.25 18.72 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.357 1.863 . . . . 0.0 111.735 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -119.08 -2.72 10.72 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 117.316 -1.326 . . . . 0.0 113.079 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -72.38 104.44 3.76 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 120.444 1.475 . . . . 0.0 107.457 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -92.22 90.37 7.27 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 104.192 -2.521 . . . . 0.0 104.192 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.59 -159.48 23.62 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -70.94 68.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 128.379 2.672 . . . . 0.0 111.761 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -57.26 -32.07 66.2 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 121.406 -0.809 . . . . 0.0 109.437 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -62.83 -34.38 77.2 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.396 1.478 . . . . 0.0 111.262 178.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -74.99 -51.28 14.03 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 120.529 -1.357 . . . . 0.0 108.39 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -58.13 -46.62 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 125.714 1.606 . . . . 0.0 111.922 -179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.2 p -52.72 -51.35 60.81 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.052 0.941 . . . . 0.0 110.138 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -61.07 -39.2 89.0 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 118.539 -0.743 . . . . 0.0 112.608 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.7 m -65.59 -41.82 92.37 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.18 -39.35 92.77 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 118.579 -0.724 . . . . 0.0 110.226 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -51.57 68.55 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 123.823 0.849 . . . . 0.0 110.95 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -61.73 -34.97 76.75 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 118.444 -0.788 . . . . 0.0 112.847 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -67.45 -52.79 35.26 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 124.439 1.087 . . . . 0.0 108.112 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.47 -46.83 80.22 Favored 'General case' 0 C--O 1.23 0.071 0 C-N-CA 125.336 1.454 . . . . 0.0 113.874 -178.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -59.3 -49.34 78.22 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.269 0.08 . . . . 0.0 110.889 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -31.89 73.21 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 118.646 -0.692 . . . . 0.0 110.005 178.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -62.18 1.82 Allowed 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.686 1.195 . . . . 0.0 110.905 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -75.8 4.94 7.01 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 178.923 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.7 t30 . . . . . 0 C--O 1.235 0.318 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -43.41 -44.9 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.589 1.955 . . . . 0.0 109.816 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.88 -51.54 63.36 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 128.143 2.577 . . . . 0.0 113.867 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -74.7 -35.29 62.72 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.26 0.624 . . . . 0.0 110.35 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.36 -59.33 4.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.093 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.4 ptt85 -57.46 -37.48 72.94 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 117.892 -1.051 . . . . 0.0 113.267 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.99 -46.11 82.47 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 123.628 0.58 . . . . 0.0 111.733 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.72 -42.43 99.39 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.9 mt -59.27 -34.1 71.85 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.577 0.751 . . . . 0.0 112.131 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -61.89 -48.48 80.29 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -62.91 -37.45 87.04 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.315 1.046 . . . . 0.0 110.719 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.47 -47.87 80.01 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.78 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 m -69.64 -31.97 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 118.557 -1.257 . . . . 0.0 110.053 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.66 -33.3 73.73 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.298 0.639 . . . . 0.0 109.895 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -95.78 3.16 54.02 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.104 1.362 . . . . 0.0 110.633 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 62.31 12.57 5.31 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.825 2.05 . . . . 0.0 112.811 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.15 -25.58 61.63 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.048 1.739 . . . . 0.0 109.777 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -150.15 171.12 17.42 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.788 1.635 . . . . 0.0 107.229 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.03 156.53 47.72 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 127.178 2.191 . . . . 0.0 105.374 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -52.9 -37.14 60.34 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.729 0.695 . . . . 0.0 111.199 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -71.5 -44.86 63.91 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.87 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -60.24 -45.71 92.31 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.222 1.009 . . . . 0.0 110.85 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.36 -51.78 65.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.68 -33.65 74.36 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.928 1.291 . . . . 0.0 113.115 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.2 tp -69.86 -48.83 57.33 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 124.057 0.943 . . . . 0.0 110.424 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -74.16 -43.66 56.53 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.264 0.626 . . . . 0.0 110.759 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.0 p -73.63 -21.45 60.3 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.69 1.132 . . . . 0.0 113.361 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.04 -6.68 78.29 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 123.985 0.802 . . . . 0.0 112.739 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.4 mt -75.64 170.26 16.51 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.422 1.489 . . . . 0.0 110.729 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.9 t -80.01 150.38 30.43 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -60.71 -45.37 94.47 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 118.943 0.792 . . . . 0.0 109.573 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.91 -42.48 70.01 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-O 118.45 -1.194 . . . . 0.0 112.084 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.1 m -53.23 -57.34 10.84 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.522 1.161 . . . . 0.0 111.431 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 mt -53.93 -54.42 20.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 123.968 0.907 . . . . 0.0 111.198 -178.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 p -58.99 -40.37 84.64 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 118.352 0.523 . . . . 0.0 112.27 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -66.2 -48.97 68.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -59.43 -46.82 87.64 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.058 1.743 . . . . 0.0 110.593 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.1 mt -55.99 -34.62 38.55 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 O-C-N 121.778 -0.577 . . . . 0.0 111.769 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -98.83 7.45 46.03 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 118.556 -0.735 . . . . 0.0 112.834 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.8 t70 57.94 41.6 24.23 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.982 1.372 . . . . 0.0 108.906 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -112.3 -5.84 14.12 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.414 1.885 . . . . 0.0 112.113 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -76.16 171.26 14.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.857 1.263 . . . . 0.0 110.825 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -72.46 -169.98 0.6 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 128.663 2.785 . . . . 0.0 108.622 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.17 -169.33 41.63 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 107.413 -2.275 . . . . 0.0 107.413 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.7 t0 67.33 28.65 7.84 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.151 1.38 . . . . 0.0 109.004 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -53.05 -31.36 41.12 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 126.647 1.979 . . . . 0.0 108.893 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -53.72 -50.66 65.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.139 2.576 . . . . 0.0 111.074 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -59.69 -47.89 83.85 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.575 1.15 . . . . 0.0 109.224 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.6 t -64.29 -53.51 42.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 123.576 0.75 . . . . 0.0 109.881 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 p -55.0 -48.41 73.35 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.483 1.113 . . . . 0.0 111.226 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -61.74 -33.39 73.96 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.699 1.136 . . . . 0.0 111.312 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.2 m -68.56 -41.96 79.02 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.56 -34.11 73.72 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.854 0.862 . . . . 0.0 109.986 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -55.97 26.93 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.87 1.668 . . . . 0.0 107.984 178.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -55.25 -46.04 76.05 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.429 0.692 . . . . 0.0 109.379 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -61.41 -42.07 98.14 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 119.158 -0.448 . . . . 0.0 110.996 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.03 -39.28 90.08 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.613 1.097 . . . . 0.0 110.335 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -61.02 -39.54 90.12 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -73.94 -31.46 63.06 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 119.559 1.072 . . . . 0.0 110.223 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -59.47 3.31 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 118.623 0.647 . . . . 0.0 109.438 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -69.38 -18.53 63.78 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-N 121.126 1.784 . . . . 0.0 111.808 -178.599 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.1 mm -54.83 -42.43 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.0 t -52.08 -45.56 64.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 126.884 2.074 . . . . 0.0 111.507 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -71.93 -42.9 66.1 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.551 0.74 . . . . 0.0 111.321 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.19 -54.6 32.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -61.76 -35.37 77.92 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.52 -0.737 . . . . 0.0 110.814 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.33 -15.9 63.63 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 118.67 0.668 . . . . 0.0 111.33 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.72 -59.1 2.04 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.6 mt -55.25 -36.53 66.15 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.13 0.972 . . . . 0.0 113.228 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -61.01 -42.45 98.47 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.016 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -58.73 -44.01 90.36 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 118.889 0.768 . . . . 0.0 109.348 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.17 -49.92 72.62 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 123.826 0.704 . . . . 0.0 110.395 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -75.05 -32.43 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.283 -0.885 . . . . 0.0 112.862 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.82 -30.89 69.54 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 124.749 1.22 . . . . 0.0 111.36 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -97.2 6.42 48.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.34 1.056 . . . . 0.0 109.89 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 55.5 31.97 18.09 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.282 1.833 . . . . 0.0 111.857 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -66.76 -30.69 70.97 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.638 1.575 . . . . 0.0 108.81 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 t -163.22 -177.72 5.54 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.276 1.83 . . . . 0.0 109.345 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.2 p -121.61 162.8 20.01 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.603 1.161 . . . . 0.0 111.314 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -60.26 -35.12 74.78 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.862 0.865 . . . . 0.0 109.331 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -46.99 86.16 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 108.247 -1.019 . . . . 0.0 108.247 178.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -64.47 -48.76 74.02 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.084 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.0 mt -55.49 -45.63 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.73 -48.57 78.65 Favored 'General case' 0 C--O 1.224 -0.249 0 O-C-N 121.397 -0.815 . . . . 0.0 111.91 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.55 -39.62 88.59 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.684 0.794 . . . . 0.0 112.809 -178.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.96 -46.88 15.9 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.244 1.018 . . . . 0.0 110.728 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -70.97 -26.41 63.14 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 120.8 -1.188 . . . . 0.0 111.67 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.1 4.89 86.36 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 125.476 1.512 . . . . 0.0 110.591 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.2 mt -86.02 166.17 16.09 Favored 'General case' 0 C--N 1.338 0.1 0 CA-C-N 119.382 1.591 . . . . 0.0 109.351 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 t -73.32 141.57 47.12 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -32.54 69.45 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 125.009 1.324 . . . . 0.0 112.935 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.62 -38.75 19.73 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.2 m -56.79 -45.84 81.91 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 125.183 1.393 . . . . 0.0 112.055 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.8 mt -58.35 -46.34 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.11 -44.29 87.62 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 121.918 -0.489 . . . . 0.0 112.073 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -47.14 85.09 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -56.65 -47.41 79.82 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.53 1.132 . . . . 0.0 110.359 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.89 -33.19 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 O-C-N 121.732 -0.605 . . . . 0.0 110.206 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -84.22 1.98 42.01 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.217 0.917 . . . . 0.0 110.811 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 t70 70.9 10.19 6.93 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 128.341 2.656 . . . . 0.0 111.611 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -87.13 7.27 28.77 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.145 1.778 . . . . 0.0 114.069 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -85.99 155.06 21.03 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.322 1.419 . . . . 0.0 107.189 178.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -149.97 152.43 34.94 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.119 1.367 . . . . 0.0 109.417 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.12 -49.81 4.16 Favored Glycine 0 C--N 1.331 0.287 0 N-CA-C 118.153 2.021 . . . . 0.0 118.153 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.69 21.62 12.42 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.56 1.18 . . . . 0.0 112.599 -177.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -49.3 -47.41 46.98 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 126.284 1.833 . . . . 0.0 112.067 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.1 -45.19 86.2 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.728 0.695 . . . . 0.0 110.573 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -61.66 -43.17 99.36 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 120.779 -1.201 . . . . 0.0 109.868 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.12 -51.2 75.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.9 p -57.11 -49.91 74.43 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.655 0.782 . . . . 0.0 110.317 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -57.38 -35.4 69.94 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.793 1.237 . . . . 0.0 111.584 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.6 m -75.62 -35.64 60.46 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.477 -0.764 . . . . 0.0 109.235 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.6 mt -71.18 -36.17 71.88 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 123.809 0.844 . . . . 0.0 109.781 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -50.37 73.42 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 125.024 1.329 . . . . 0.0 110.023 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -61.02 -43.18 99.27 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.029 0.532 . . . . 0.0 110.402 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -61.42 -49.51 76.58 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.41 -35.67 74.4 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.588 0.631 . . . . 0.0 111.833 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -67.33 -40.86 85.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 118.743 0.701 . . . . 0.0 109.27 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -31.68 64.07 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.606 0.639 . . . . 0.0 110.093 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.77 -44.57 69.88 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.444 0.697 . . . . 0.0 109.668 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -70.87 -5.06 27.69 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 118.65 -0.69 . . . . 0.0 111.698 177.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.912 0 CA-C-O 116.255 -1.831 . . . . 0.0 110.739 -179.709 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.4 t30 . . . . . 0 CA--C 1.537 0.466 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.3 mt -47.65 -42.5 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 125.916 1.686 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.6 t -61.29 -38.02 85.28 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 117.658 -1.163 . . . . 0.0 112.611 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.79 -39.76 69.69 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 119.506 1.048 . . . . 0.0 109.625 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.7 mt -60.41 -53.71 45.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 -64.78 -34.5 78.49 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 117.608 -1.187 . . . . 0.0 111.589 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.96 -43.39 77.49 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.44 1.018 . . . . 0.0 112.39 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.93 -37.57 94.44 Favored Glycine 0 CA--C 1.523 0.581 0 CA-C-N 117.997 0.362 . . . . 0.0 112.478 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.3 -38.47 80.29 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 121.692 -0.887 . . . . 0.0 110.49 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -55.74 -48.49 75.13 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -57.15 -44.53 83.51 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.376 1.07 . . . . 0.0 110.557 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.01 -47.11 86.41 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.343 0.657 . . . . 0.0 110.451 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.9 -30.75 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-N 119.374 0.988 . . . . 0.0 112.26 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -60.37 -39.54 87.58 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 123.819 0.848 . . . . 0.0 109.975 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -92.01 9.72 32.04 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.136 1.374 . . . . 0.0 111.582 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 57.66 15.06 2.68 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.643 2.377 . . . . 0.0 114.595 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -50.21 -35.82 28.14 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 127.986 2.514 . . . . 0.0 112.195 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -163.59 166.53 22.34 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.173 0.989 . . . . 0.0 108.592 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -115.42 159.22 21.41 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -52.15 -36.94 52.93 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -64.39 -42.59 96.06 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 118.919 0.782 . . . . 0.0 110.799 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -65.17 -43.97 90.0 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 54.6 mt -59.23 -46.02 92.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.71 -45.88 88.57 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 124.196 0.999 . . . . 0.0 110.886 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.0 tp -57.81 -48.73 78.88 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.648 0.779 . . . . 0.0 111.399 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -78.24 -39.0 41.63 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -74.07 -28.06 61.21 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 121.639 -0.663 . . . . 0.0 110.586 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.73 -4.76 76.14 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 126.31 1.909 . . . . 0.0 110.199 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.6 mt -76.99 174.17 10.94 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 124.869 1.268 . . . . 0.0 108.955 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.7 t -90.5 149.13 22.32 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -55.91 -46.04 78.5 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.59 -48.38 84.88 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-O 118.226 -1.319 . . . . 0.0 111.451 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.3 m -54.09 -47.8 71.37 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 124.47 1.108 . . . . 0.0 110.676 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.1 mt -60.1 -49.19 85.02 Favored 'Isoleucine or valine' 0 C--O 1.23 0.07 0 CA-C-N 118.85 0.75 . . . . 0.0 109.444 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -61.0 -40.41 93.42 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.254 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -41.18 92.21 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 120.11 1.323 . . . . 0.0 108.759 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.78 -50.85 71.87 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.156 1.382 . . . . 0.0 110.234 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.1 mt -65.97 -44.05 92.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.096 0.558 . . . . 0.0 110.138 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -77.02 6.76 5.79 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.15 0.98 . . . . 0.0 112.331 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 61.05 16.96 7.53 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 128.11 2.564 . . . . 0.0 114.742 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -83.66 -23.3 31.83 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 120.586 -1.321 . . . . 0.0 109.196 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -72.03 129.94 39.74 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -139.32 155.24 47.84 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 126.641 1.976 . . . . 0.0 106.378 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.32 98.98 0.39 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.671 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 69.15 38.16 1.98 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.408 1.483 . . . . 0.0 110.635 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -57.34 -35.47 69.95 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.056 1.342 . . . . 0.0 110.609 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -60.76 -36.6 79.36 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.604 0.762 . . . . 0.0 110.412 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -64.35 -43.37 94.8 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 120.405 -1.435 . . . . 0.0 108.521 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -62.83 -46.61 95.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.6 p -58.4 -50.64 72.98 Favored 'General case' 0 C--N 1.34 0.186 0 CA-C-N 119.059 0.845 . . . . 0.0 109.558 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -55.76 -36.46 67.33 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 124.766 1.227 . . . . 0.0 111.554 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.1 m -70.33 -38.01 74.81 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.48 -35.15 73.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.121 -0.942 . . . . 0.0 109.937 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -57.24 -53.15 61.32 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.692 0.797 . . . . 0.0 110.29 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -58.58 -35.12 71.89 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 59.6 t90 -70.43 -54.49 12.15 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.49 -36.26 68.92 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.012 1.325 . . . . 0.0 112.489 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -59.32 -40.5 86.47 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.671 0.788 . . . . 0.0 110.751 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -82.91 -32.09 27.46 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.071 0.396 . . . . 0.0 110.311 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -52.15 65.09 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -77.52 9.51 3.27 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 CA-C-N 119.808 1.185 . . . . 0.0 110.673 179.498 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 mt -54.21 -36.29 32.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 O-C-N 121.077 -1.014 . . . . 0.0 110.239 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 t -68.44 -47.8 66.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.551 1.54 . . . . 0.0 109.639 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.07 -42.99 99.52 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.14 0.976 . . . . 0.0 110.659 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.3 mt -56.8 -59.55 2.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 124.815 1.246 . . . . 0.0 108.964 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -59.17 -36.7 75.77 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.958 0.799 . . . . 0.0 111.235 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.35 -18.54 65.42 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 118.206 -0.902 . . . . 0.0 113.297 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.76 -42.35 4.47 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 119.149 0.886 . . . . 0.0 110.95 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.2 mt -58.84 -37.86 77.42 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.17 0.985 . . . . 0.0 111.086 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -56.2 -43.1 78.18 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.066 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 m -56.75 -42.66 79.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 119.036 0.834 . . . . 0.0 111.403 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.97 -47.54 77.25 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.201 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -69.97 -38.03 74.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 118.777 -1.169 . . . . 0.0 111.932 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -61.01 -27.48 68.35 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.868 1.667 . . . . 0.0 112.031 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -100.53 7.1 44.3 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.073 1.349 . . . . 0.0 110.615 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 56.85 13.79 1.6 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 127.575 2.35 . . . . 0.0 113.511 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.48 -38.92 14.74 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.912 2.485 . . . . 0.0 111.942 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 t -160.96 143.74 12.75 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.41 157.44 23.68 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.882 0.372 . . . . 0.0 111.911 -178.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -53.12 -35.43 59.67 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.65 1.18 . . . . 0.0 111.874 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -66.1 -36.99 84.63 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.01 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -68.92 -42.39 76.85 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.5 mt -56.49 -49.91 75.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.81 87.97 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 123.594 0.758 . . . . 0.0 111.463 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.61 -47.28 82.06 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -76.97 -32.11 57.03 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.1 p -81.08 -22.72 38.97 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 121.827 -0.546 . . . . 0.0 110.71 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.59 -6.11 70.85 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.878 1.228 . . . . 0.0 111.44 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.8 mt -75.38 172.14 12.99 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.786 1.293 . . . . 0.0 108.362 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m -88.65 157.12 18.66 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 177.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.9 p -59.98 -42.86 95.11 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.203 -0.935 . . . . 0.0 110.994 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.51 -26.51 66.59 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 125.02 1.295 . . . . 0.0 112.582 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.4 m -70.25 -55.43 9.28 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.236 1.518 . . . . 0.0 110.413 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.2 mt -54.2 -49.78 60.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 C-N-CA 124.212 1.005 . . . . 0.0 110.502 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.5 p -61.98 -44.39 96.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.2 p -67.16 -38.09 84.88 Favored 'General case' 0 N--CA 1.414 -2.233 0 O-C-N 121.809 -0.557 . . . . 0.0 109.922 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -61.14 -52.42 64.95 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.951 0.9 . . . . 0.0 108.889 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.0 mt -55.32 -32.74 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.865 0.866 . . . . 0.0 112.082 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -102.55 20.53 16.94 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 61.41 6.23 1.38 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.644 1.978 . . . . 0.0 112.776 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -74.18 -29.33 61.71 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 120.411 -1.431 . . . . 0.0 111.629 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -70.16 141.36 52.63 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -153.13 75.58 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.4 60.4 0.19 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 76.87 58.4 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 126.94 2.096 . . . . 0.0 108.609 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -58.11 -31.9 67.58 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.36 -41.51 97.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.811 2.045 . . . . 0.0 110.83 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -48.03 54.61 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 69.9 t -55.23 -47.51 77.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 123.755 0.822 . . . . 0.0 109.223 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 p -58.15 -42.16 85.33 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.444 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -64.17 -32.49 74.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 120.011 1.278 . . . . 0.0 111.171 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.1 m -72.9 -40.61 65.4 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.08 -1.013 . . . . 0.0 108.658 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.12 -38.59 88.56 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.198 0.999 . . . . 0.0 110.076 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.12 -52.24 52.84 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.682 1.993 . . . . 0.0 111.52 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -61.7 -43.62 98.5 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.129 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -61.56 -44.5 96.92 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 119.158 -0.449 . . . . 0.0 110.977 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.71 -39.93 80.22 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 118.752 0.705 . . . . 0.0 111.046 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -58.09 -44.34 87.56 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 118.268 -0.873 . . . . 0.0 109.984 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -70.17 -31.7 69.29 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.307 0.958 . . . . 0.0 110.93 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.59 -50.95 47.64 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -82.18 -14.07 56.18 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.199 0 CA-C-N 122.568 2.44 . . . . 0.0 112.374 -179.113 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.4 t30 . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 mt -49.1 -45.57 17.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 126.845 2.058 . . . . 0.0 111.172 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.5 t -58.29 -32.58 68.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.026 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -81.55 -35.48 30.22 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.394 0.997 . . . . 0.0 111.371 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.7 mt -53.98 -55.04 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.964 1.306 . . . . 0.0 108.621 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -58.95 -32.79 69.93 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 117.869 -1.063 . . . . 0.0 113.453 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.97 95.54 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 119.707 1.14 . . . . 0.0 110.641 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.62 -45.4 95.7 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.42 -37.09 77.16 Favored 'General case' 0 CA--C 1.517 -0.292 0 O-C-N 121.896 -0.767 . . . . 0.0 111.701 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -64.7 -46.92 80.31 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.0 m -56.31 -41.83 76.62 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.167 0.587 . . . . 0.0 110.149 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.46 -52.39 61.6 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 119.059 -0.496 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.67 -32.86 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 119.293 0.951 . . . . 0.0 111.865 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.03 -28.2 68.68 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.968 1.307 . . . . 0.0 111.974 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -103.35 15.88 27.97 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.763 1.225 . . . . 0.0 110.108 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 56.38 18.57 3.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.755 1.622 . . . . 0.0 112.569 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.29 -39.79 94.63 Favored 'General case' 0 C--N 1.335 -0.054 0 C-N-CA 125.862 1.665 . . . . 0.0 110.114 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 t -143.44 179.15 7.28 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.934 1.294 . . . . 0.0 108.904 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 m -139.53 152.5 46.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.691 1.596 . . . . 0.0 107.097 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -52.98 -41.45 64.6 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 123.641 0.776 . . . . 0.0 111.068 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -44.03 87.76 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.274 178.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -67.79 -51.52 47.86 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 117.736 -1.126 . . . . 0.0 110.611 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.9 mt -52.17 -47.87 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 119.922 1.237 . . . . 0.0 108.196 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.47 88.31 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 123.862 0.865 . . . . 0.0 112.423 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.17 -56.53 20.94 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.055 0.542 . . . . 0.0 109.966 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -60.17 -43.99 95.38 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.417 1.487 . . . . 0.0 112.51 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.0 p -79.48 -19.89 48.66 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.892 0.769 . . . . 0.0 112.863 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.04 -1.6 88.4 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.837 1.208 . . . . 0.0 110.226 -177.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.5 mt -82.57 167.18 18.59 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 119.064 1.432 . . . . 0.0 110.139 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 t -78.93 147.13 33.14 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.5 p -60.44 -47.28 86.79 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.71 -33.94 60.2 Favored Glycine 0 C--N 1.341 0.828 0 C-N-CA 124.233 0.921 . . . . 0.0 112.224 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.7 m -66.35 -55.77 14.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -54.88 -51.04 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 C-N-CA 124.138 0.975 . . . . 0.0 111.487 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 p -61.11 -38.18 85.39 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 t -73.63 -39.59 64.41 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -56.79 -50.03 73.55 Favored 'General case' 0 CA--C 1.527 0.073 0 C-N-CA 126.813 2.045 . . . . 0.0 109.157 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.9 mt -58.09 -41.96 81.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 123.204 0.602 . . . . 0.0 110.293 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -79.69 0.12 31.72 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.733 0.813 . . . . 0.0 112.991 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . 0.257 1.8 t70 56.16 45.21 23.79 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 127.711 2.404 . . . . 0.0 109.367 -177.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -116.04 -10.41 11.57 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 126.161 1.784 . . . . 0.0 109.767 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -80.68 120.7 24.94 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 100.268 -3.975 . . . . 0.0 100.268 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -124.7 104.93 8.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.04 -123.18 1.15 Allowed Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -78.31 62.9 3.09 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.137 0.975 . . . . 0.0 109.362 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -66.45 -32.92 74.59 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.522 1.529 . . . . 0.0 111.746 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.98 -47.86 81.32 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.59 0.756 . . . . 0.0 110.397 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -55.51 -41.83 73.63 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 121.638 -0.663 . . . . 0.0 109.414 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.9 t -66.06 -52.48 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-O 118.081 -0.961 . . . . 0.0 108.914 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.6 p -56.3 -54.08 49.61 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 119.742 1.155 . . . . 0.0 111.512 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -56.71 -40.53 75.83 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.696 0.798 . . . . 0.0 110.555 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.5 m -68.02 -38.94 83.15 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.402 -0.811 . . . . 0.0 109.887 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.99 -25.62 61.91 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 117.684 -1.151 . . . . 0.0 111.078 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -66.76 -53.29 34.7 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 120.011 1.278 . . . . 0.0 108.404 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -57.9 -29.55 65.18 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 124.608 1.163 . . . . 0.0 111.745 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -78.53 -38.96 39.3 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.448 0.699 . . . . 0.0 109.402 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -44.21 81.18 Favored 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -178.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -54.16 -50.44 66.98 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 123.627 0.579 . . . . 0.0 111.639 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -66.8 -30.69 70.96 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 123.56 0.744 . . . . 0.0 110.73 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -62.45 1.85 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -69.79 -29.47 66.79 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 118.966 -1.094 . . . . 0.0 111.045 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 C-N-CA 129.266 3.026 . . . . 0.0 110.196 -178.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.607 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -74.49 78.68 2.66 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.959 3.106 . . . . 0.0 109.86 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 ptm -51.31 149.59 3.95 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 127.42 2.288 . . . . 0.0 110.951 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -72.8 162.22 29.76 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 mt -58.77 -34.01 50.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 O-C-N 121.585 -0.697 . . . . 0.0 109.57 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.9 m -59.38 -37.91 79.15 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.596 1.158 . . . . 0.0 110.71 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -69.34 -40.91 77.27 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 118.878 0.763 . . . . 0.0 109.598 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.33 -58.87 3.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -62.0 -33.15 73.81 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.651 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.16 -23.49 67.46 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-O 117.52 -1.229 . . . . 0.0 112.883 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.5 -44.53 5.82 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.5 mt -56.86 -38.98 73.46 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 121.464 -1.021 . . . . 0.0 112.372 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -59.73 -44.08 93.92 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 119.042 -0.504 . . . . 0.0 109.793 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -58.98 -43.44 91.41 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.418 1.087 . . . . 0.0 111.121 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.7 -50.94 64.98 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 119.137 -0.458 . . . . 0.0 111.066 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.5 m -67.75 -33.26 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 119.819 -0.752 . . . . 0.0 112.023 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.58 -34.55 71.22 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 124.77 1.228 . . . . 0.0 110.888 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -109.21 19.7 19.14 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.898 0.879 . . . . 0.0 112.689 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 59.65 17.79 6.55 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.921 1.688 . . . . 0.0 114.891 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.25 -20.9 65.73 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.173 1.789 . . . . 0.0 111.112 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.415 ' HG1' HG13 ' A' ' 24' ' ' ILE . 5.5 t -158.7 175.96 12.97 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.934 1.294 . . . . 0.0 108.011 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.2 p -137.19 161.75 35.32 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.086 1.354 . . . . 0.0 108.786 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -59.83 -43.24 94.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -61.51 -48.21 82.07 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.202 1.001 . . . . 0.0 112.305 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -65.88 -43.52 88.07 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 117.313 -1.327 . . . . 0.0 109.925 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.415 HG13 ' HG1' ' A' ' 19' ' ' THR . 58.0 mt -60.05 -47.04 93.4 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 179.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.7 87.07 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 123.402 0.681 . . . . 0.0 111.105 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.0 tp -65.83 -49.03 69.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 119.218 -0.42 . . . . 0.0 110.868 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -67.74 -32.58 73.3 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.6 p -86.93 -18.41 30.86 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 121.837 -0.539 . . . . 0.0 112.202 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.78 13.11 82.56 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.2 mt -96.18 177.3 5.77 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.748 1.619 . . . . 0.0 107.515 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m -92.85 150.85 20.34 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 p -56.59 -46.5 80.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.112 0.965 . . . . 0.0 111.231 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.04 -35.76 78.15 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 118.938 -0.924 . . . . 0.0 112.863 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.0 m -61.73 -51.72 67.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.177 0.991 . . . . 0.0 110.359 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.0 -51.87 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 C-N-CA 124.063 0.945 . . . . 0.0 109.718 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 p -59.45 -45.59 91.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.476 -0.297 . . . . 0.0 111.225 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.14 -35.91 80.74 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.717 0.689 . . . . 0.0 112.133 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -64.18 -49.08 73.46 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.979 1.312 . . . . 0.0 107.476 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.72 -45.97 97.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -65.72 -6.45 11.61 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.594 1.157 . . . . 0.0 111.753 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 t0 53.85 44.69 29.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.25 1.42 . . . . 0.0 107.718 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -131.38 -6.12 3.77 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 127.211 2.204 . . . . 0.0 112.538 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -67.21 134.97 52.7 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -114.17 114.22 25.73 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.07 -157.06 27.36 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 108.527 -1.829 . . . . 0.0 108.527 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -79.51 83.61 5.48 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -60.42 -31.84 70.78 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 122.647 0.379 . . . . 0.0 110.206 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -64.22 -34.99 79.36 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.942 0.497 . . . . 0.0 110.286 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -62.16 -47.88 82.57 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 120.78 -1.2 . . . . 0.0 107.974 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.74 -46.38 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 125.04 1.336 . . . . 0.0 110.157 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 99.8 p -55.63 -51.33 67.57 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 119.272 0.942 . . . . 0.0 110.091 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -58.42 -36.58 73.82 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 118.426 -0.797 . . . . 0.0 113.079 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 m -69.27 -45.58 69.35 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.35 -30.31 71.47 Favored 'General case' 0 C--O 1.227 -0.095 0 O-C-N 120.764 -1.21 . . . . 0.0 112.464 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -60.67 -48.75 80.4 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 118.625 0.648 . . . . 0.0 110.103 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -59.56 -38.98 82.55 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 122.743 0.417 . . . . 0.0 110.552 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -65.25 -49.85 68.02 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.16 -36.0 78.61 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.321 -0.862 . . . . 0.0 111.366 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -59.82 -50.28 74.42 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.202 1.001 . . . . 0.0 109.622 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -69.03 -31.67 70.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.493 0.588 . . . . 0.0 111.514 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -62.71 1.31 Allowed 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -63.43 -17.05 62.27 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 179.01 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.441 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.05 98.49 0.44 Allowed 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.643 2.228 . . . . 0.0 108.377 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 ptm -56.79 142.01 42.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 126.345 1.858 . . . . 0.0 108.116 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.0 163.04 6.28 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 123.841 0.857 . . . . 0.0 112.636 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.0 mt -58.95 -40.4 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.6 t -57.36 -43.12 83.26 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.468 1.507 . . . . 0.0 108.187 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -70.55 -46.23 63.95 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 119.022 0.828 . . . . 0.0 110.12 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.99 -56.36 9.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 124.609 1.164 . . . . 0.0 108.345 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 38.2 ptt85 -67.15 -30.83 70.92 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.08 -40.12 78.64 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 118.754 0.706 . . . . 0.0 110.571 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.2 -43.88 93.38 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 108.085 -2.006 . . . . 0.0 108.085 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.3 mt -58.2 -41.01 83.03 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 117.945 -1.026 . . . . 0.0 111.407 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -58.81 -47.83 83.42 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.4 m -53.76 -54.62 35.58 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.539 0.524 . . . . 0.0 110.16 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.22 -39.18 81.9 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.686 0.675 . . . . 0.0 112.14 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -77.91 -37.66 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 119.934 -1.729 . . . . 0.0 112.415 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -69.49 -35.9 75.99 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.968 1.707 . . . . 0.0 110.086 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -81.5 -0.76 43.35 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.919 0.887 . . . . 0.0 110.521 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 69.67 12.19 8.03 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 128.672 2.789 . . . . 0.0 112.346 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -56.58 -37.7 70.96 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 126.182 1.793 . . . . 0.0 111.293 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 t -151.67 -177.18 5.95 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.821 0.848 . . . . 0.0 109.821 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.6 m -130.49 156.2 45.18 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.043 1.737 . . . . 0.0 106.609 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -52.66 -36.96 57.86 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.673 -1.267 . . . . 0.0 114.174 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -60.64 -39.76 89.48 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 118.849 -0.596 . . . . 0.0 112.061 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -67.04 -43.95 81.45 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 123.821 0.701 . . . . 0.0 110.221 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mt -61.81 -49.74 83.03 Favored 'Isoleucine or valine' 0 C--N 1.339 0.121 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.45 -49.66 73.96 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 123.548 0.739 . . . . 0.0 111.719 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.88 -44.79 82.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.026 1.331 . . . . 0.0 112.376 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -78.47 -41.31 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 p -73.33 -28.33 62.01 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 123.373 0.669 . . . . 0.0 112.145 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.61 12.73 60.58 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.419 -1.073 . . . . 0.0 110.419 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.8 mt -97.85 -177.68 3.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.898 1.349 . . . . 0.0 109.174 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.3 t -99.83 145.76 27.38 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 p -56.37 -51.7 67.34 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.529 1.132 . . . . 0.0 110.804 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.29 -43.55 93.65 Favored Glycine 0 C--N 1.338 0.692 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 49.5 m -59.16 -53.01 63.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 117.655 -1.164 . . . . 0.0 110.511 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.1 mt -56.08 -46.94 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 120.09 1.314 . . . . 0.0 109.378 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -44.09 82.7 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.835 -0.541 . . . . 0.0 110.881 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -36.58 77.44 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 123.995 0.918 . . . . 0.0 110.216 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -64.14 -46.84 82.3 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.535 1.134 . . . . 0.0 108.142 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 85.5 mt -58.83 -39.54 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 O-C-N 121.837 -0.539 . . . . 0.0 110.023 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -79.25 -3.43 45.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.7 t70 56.9 41.48 27.81 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.982 1.372 . . . . 0.0 108.58 -177.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -125.52 -6.21 6.99 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 125.952 1.701 . . . . 0.0 110.735 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -63.98 142.84 58.26 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 120.324 1.42 . . . . 0.0 108.092 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -117.87 92.55 3.86 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 104.503 -2.406 . . . . 0.0 104.503 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.27 -161.47 26.34 Favored Glycine 0 N--CA 1.435 -1.382 0 N-CA-C 107.326 -2.31 . . . . 0.0 107.326 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -88.0 85.99 7.06 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 102.743 -3.058 . . . . 0.0 102.743 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -56.22 -31.21 63.3 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.128 0.971 . . . . 0.0 109.163 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -60.91 -35.02 75.59 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.5 1.92 . . . . 0.0 110.075 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 tpp85 -68.74 -48.63 63.27 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 120.347 -1.471 . . . . 0.0 107.099 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.8 t -56.65 -46.59 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.083 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 p -59.87 -44.61 94.07 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.399 0.999 . . . . 0.0 110.058 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -60.69 -38.77 86.09 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.66 0.664 . . . . 0.0 111.328 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 m -69.83 -37.19 76.11 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.55 0.614 . . . . 0.0 109.9 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.6 mt -72.79 -28.62 62.7 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 117.24 -1.362 . . . . 0.0 110.287 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -58.32 -50.78 72.43 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.467 1.031 . . . . 0.0 109.405 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -57.35 -48.66 78.42 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 118.561 0.619 . . . . 0.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -59.94 -47.03 87.44 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.141 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.77 -35.15 78.88 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 124.606 1.163 . . . . 0.0 111.458 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.97 -50.27 71.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -66.0 -35.92 81.87 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 118.884 0.766 . . . . 0.0 109.666 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -53.34 38.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -60.62 -22.65 64.01 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 117.598 -1.191 . . . . 0.0 114.18 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.344 0 CA-C-N 120.004 1.275 . . . . 0.0 110.238 179.631 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.542 0 N-CA-C 109.719 -1.353 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -67.63 168.56 17.98 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.971 2.447 . . . . 0.0 110.759 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.4 mtm -150.01 157.65 43.36 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.333 1.053 . . . . 0.0 108.941 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -103.0 166.35 10.49 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.828 2.051 . . . . 0.0 108.585 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 mt -47.42 -53.9 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.558 1.143 . . . . 0.0 112.562 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -55.79 -35.28 66.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.379 1.072 . . . . 0.0 113.034 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.23 -47.38 16.04 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.889 1.676 . . . . 0.0 108.878 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.5 mt -53.52 -54.23 19.99 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 C-N-CA 124.773 1.229 . . . . 0.0 108.17 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 -63.42 -31.44 72.6 Favored 'General case' 0 C--N 1.339 0.114 0 CA-C-O 117.801 -1.095 . . . . 0.0 113.331 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.62 -46.59 85.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 119.221 0.918 . . . . 0.0 111.435 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.72 -41.01 93.62 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.99 -35.49 76.95 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.364 -1.08 . . . . 0.0 112.447 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -66.13 -46.66 76.76 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -54.03 -41.26 67.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.115 0.885 . . . . 0.0 110.244 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.05 -51.98 58.41 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.803 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -69.26 -29.55 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 119.78 1.173 . . . . 0.0 112.536 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.78 -23.6 64.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.676 1.591 . . . . 0.0 112.138 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -112.93 12.41 19.35 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.229 1.412 . . . . 0.0 110.808 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 60.38 17.39 7.12 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.612 2.365 . . . . 0.0 114.223 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.69 -22.99 67.19 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.786 2.034 . . . . 0.0 109.897 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 t -157.87 177.85 10.89 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.937 2.095 . . . . 0.0 108.345 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.0 m -141.06 151.74 44.27 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.894 1.678 . . . . 0.0 108.261 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -53.07 -40.18 63.85 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.828 1.195 . . . . 0.0 111.663 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -61.37 -45.89 92.51 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.414 1.086 . . . . 0.0 110.389 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -61.41 -52.05 66.22 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.981 1.313 . . . . 0.0 109.107 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.4 mt -55.84 -48.41 78.3 Favored 'Isoleucine or valine' 0 C--N 1.343 0.296 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.28 92.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.552 0.741 . . . . 0.0 112.039 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.1 -51.34 66.97 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.383 0.538 . . . . 0.0 110.195 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.05 -48.05 81.98 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -75.17 -19.7 59.71 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.612 1.165 . . . . 0.0 113.388 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.86 4.56 62.52 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.9 mt -82.72 167.29 18.34 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.8 m -84.28 150.7 25.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.239 -0.913 . . . . 0.0 108.921 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.1 p -57.86 -34.11 69.39 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 124.269 1.028 . . . . 0.0 110.409 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.65 -37.91 61.55 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 118.49 -1.172 . . . . 0.0 110.792 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.4 m -59.75 -52.84 63.76 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 118.872 1.336 . . . . 0.0 110.519 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.4 mt -54.68 -50.92 56.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 123.03 0.532 . . . . 0.0 110.301 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.0 p -63.99 -41.98 97.35 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.974 -0.536 . . . . 0.0 111.902 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -61.34 -46.75 88.94 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.736 1.614 . . . . 0.0 109.995 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -58.48 -48.36 81.03 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.172 1.389 . . . . 0.0 110.095 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mt -65.5 -36.05 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 119.305 -0.378 . . . . 0.0 110.353 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -83.08 9.01 11.28 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.164 1.386 . . . . 0.0 113.262 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 56.12 34.47 23.92 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.553 1.541 . . . . 0.0 111.571 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -116.28 2.51 13.26 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 120.557 -1.34 . . . . 0.0 114.249 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -73.87 87.1 1.77 Allowed 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -81.4 58.89 3.8 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 123.783 0.833 . . . . 0.0 110.161 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.86 -149.48 5.05 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 125.431 1.491 . . . . 0.0 110.705 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -82.47 84.65 7.13 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -57.6 -36.78 72.21 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 125.079 1.351 . . . . 0.0 108.653 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -55.12 -36.65 65.95 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.305 2.242 . . . . 0.0 112.667 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -71.81 -42.42 67.06 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 121.052 -1.03 . . . . 0.0 109.141 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.26 -52.3 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-O 118.3 -0.857 . . . . 0.0 109.404 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 p -52.25 -51.62 57.29 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 119.593 1.088 . . . . 0.0 111.526 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -60.91 -31.93 71.42 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.5 m -73.37 -44.56 58.38 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.7 mt -60.78 -34.63 74.77 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.05 -1.031 . . . . 0.0 110.028 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -61.44 -48.19 82.27 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.544 1.137 . . . . 0.0 110.416 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -57.16 -42.95 82.04 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.862 0.755 . . . . 0.0 110.705 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -67.02 -46.79 73.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 119.031 -0.509 . . . . 0.0 109.732 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.6 mt -59.56 -36.48 76.29 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.065 0.946 . . . . 0.0 111.883 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -57.46 -49.95 74.6 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.274 1.029 . . . . 0.0 109.903 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -77.41 -32.27 54.59 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.575 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -59.32 5.23 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -65.51 -12.89 56.95 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-N 120.174 1.352 . . . . 0.0 110.352 -179.094 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.89 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -65.98 105.32 0.8 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 124.033 3.155 . . . . 0.0 108.28 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 mtp -84.77 139.72 31.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -90.48 171.53 9.36 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.0 mt -39.95 -57.13 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 125.841 1.656 . . . . 0.0 114.122 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.3 t -58.37 -49.39 77.4 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.721 -0.657 . . . . 0.0 111.509 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.58 -39.86 85.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 119.18 0.9 . . . . 0.0 110.917 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -63.27 -62.71 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.9 ptt85 -57.51 -30.1 64.87 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.764 0.711 . . . . 0.0 112.77 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.07 -26.51 65.87 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 117.949 -1.024 . . . . 0.0 112.106 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.16 -39.07 16.8 Favored Glycine 0 C--N 1.342 0.872 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.7 mt -55.71 -44.76 77.76 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 124.607 1.163 . . . . 0.0 111.698 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -63.17 -38.05 89.65 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 123.438 0.461 . . . . 0.0 110.83 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 m -67.69 -37.77 82.75 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.27 -49.34 74.46 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.151 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.0 m -65.65 -35.94 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 119.391 0.996 . . . . 0.0 110.194 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -64.45 -24.7 67.71 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.288 1.035 . . . . 0.0 111.528 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -105.8 8.37 32.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.598 1.559 . . . . 0.0 110.469 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 60.58 12.82 3.82 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.491 2.316 . . . . 0.0 114.04 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.58 -20.33 63.18 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.642 1.577 . . . . 0.0 110.864 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.2 t -153.34 -177.62 6.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.193 1.797 . . . . 0.0 107.597 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.2 m -146.31 143.92 29.46 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -52.49 -41.68 63.61 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.91 1.686 . . . . 0.0 112.562 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.03 -43.98 97.68 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.458 0.703 . . . . 0.0 110.592 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -62.86 -47.13 84.67 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.647 1.179 . . . . 0.0 109.26 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 80.6 mt -58.1 -49.96 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.28 83.38 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 122.13 -0.356 . . . . 0.0 110.876 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.45 -53.43 54.93 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 122.848 0.459 . . . . 0.0 110.237 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.67 -47.71 74.56 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.661 0.784 . . . . 0.0 113.089 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.6 p -72.46 -21.45 61.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 118.95 0.796 . . . . 0.0 113.147 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.18 -2.12 87.55 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 mt -78.74 169.41 18.28 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 119.258 1.529 . . . . 0.0 109.413 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.1 t -83.75 147.14 27.79 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -60.94 -31.2 70.75 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.69 -29.71 63.01 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-O 118.81 -0.994 . . . . 0.0 111.706 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.6 m -70.08 -50.95 35.77 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.557 1.178 . . . . 0.0 111.645 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.7 mt -53.93 -51.49 44.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 123.244 0.618 . . . . 0.0 111.314 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.9 p -60.08 -43.04 95.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 118.043 0.383 . . . . 0.0 110.574 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -42.73 98.24 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.531 0.733 . . . . 0.0 110.143 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -62.69 -47.7 82.5 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.402 0.681 . . . . 0.0 109.4 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.05 -45.25 99.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 123.664 0.785 . . . . 0.0 109.375 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.93 -17.3 64.24 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.202 1.401 . . . . 0.0 111.48 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 t70 66.38 56.9 0.75 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.969 2.108 . . . . 0.0 105.606 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.427 ' HE3' ' HA ' ' A' ' 42' ' ' LYS . 0.5 OUTLIER -136.39 -1.14 2.36 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 128.095 2.558 . . . . 0.0 112.952 -178.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -77.76 106.19 9.42 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -82.25 -0.01 43.37 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.096 0.958 . . . . 0.0 112.029 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.75 -158.34 21.63 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -75.65 92.24 2.95 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -56.22 -39.58 72.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.486 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -67.68 -44.0 78.81 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 118.847 0.749 . . . . 0.0 109.935 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -56.29 -43.28 78.7 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.18 -0.95 . . . . 0.0 109.023 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.8 t -69.59 -48.88 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 118.125 -0.941 . . . . 0.0 109.052 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.3 p -54.01 -47.7 71.23 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.224 0.92 . . . . 0.0 110.572 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -61.38 -33.01 72.94 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.313 1.045 . . . . 0.0 111.627 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.1 m -73.3 -41.66 63.31 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.1 mt -67.9 -37.17 81.39 Favored 'General case' 0 C--O 1.227 -0.11 0 C-N-CA 123.674 0.789 . . . . 0.0 109.348 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -56.8 -58.4 8.27 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 126.523 1.929 . . . . 0.0 109.24 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.1 mtt-85 -56.1 -36.42 68.14 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -67.63 -48.77 65.79 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -36.75 83.61 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.703 0.801 . . . . 0.0 111.037 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -56.93 -49.56 75.25 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.5 1.52 . . . . 0.0 108.831 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -72.74 -31.73 65.17 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.088 0.858 . . . . 0.0 111.012 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -51.51 68.89 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.327 0.512 . . . . 0.0 109.927 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -77.88 5.12 10.29 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.789 0 CA-C-N 120.943 1.701 . . . . 0.0 109.852 -179.331 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.835 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -65.35 151.0 86.53 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.514 2.143 . . . . 0.0 111.055 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ptm -149.29 123.34 9.44 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.617 0.767 . . . . 0.0 109.904 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.29 158.03 9.87 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.5 mt -54.76 -32.68 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.506 0.722 . . . . 0.0 111.442 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -60.68 -31.38 70.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -81.37 -36.01 30.14 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 118.528 0.604 . . . . 0.0 110.308 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.54 -49.12 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -71.51 -24.02 61.89 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -51.08 67.78 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 119.242 0.928 . . . . 0.0 111.913 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.03 -42.31 54.26 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-O 122.026 0.792 . . . . 0.0 112.859 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.1 mt -59.23 -34.98 72.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 118.536 -0.745 . . . . 0.0 112.573 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -65.72 -45.96 80.73 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -58.99 -41.41 87.56 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 124.175 0.99 . . . . 0.0 110.481 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.32 -44.49 79.02 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.878 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.54 -33.21 55.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 118.872 -1.131 . . . . 0.0 110.875 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.12 -34.24 73.24 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.105 1.362 . . . . 0.0 110.801 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -97.28 6.59 48.12 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.62 1.168 . . . . 0.0 111.684 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 59.72 18.6 7.37 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.256 1.822 . . . . 0.0 112.355 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.6 -23.42 67.26 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 126.124 1.77 . . . . 0.0 110.123 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -155.68 172.48 18.23 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 124.258 1.023 . . . . 0.0 109.569 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.0 p -139.38 164.06 30.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.551 1.14 . . . . 0.0 109.725 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -58.4 -38.28 77.02 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.166 178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -72.01 -47.1 54.37 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.284 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -60.17 -48.04 83.39 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.659 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.9 mt -57.34 -50.05 78.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.39 89.97 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.151 0.98 . . . . 0.0 112.299 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.2 tp -67.41 -35.5 79.4 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 123.959 0.904 . . . . 0.0 111.688 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.47 -49.29 13.7 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 122.754 0.422 . . . . 0.0 110.841 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.6 p -74.06 -14.64 61.03 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.58 1.77 46.67 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.9 mt -82.25 164.44 21.18 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.2 m -82.85 148.74 27.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -56.95 -34.08 67.67 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.22 -37.01 80.67 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 118.791 0.723 . . . . 0.0 111.509 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.5 m -62.64 -47.28 84.4 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 118.291 -0.862 . . . . 0.0 111.866 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.6 mt -56.43 -53.87 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 119.94 1.246 . . . . 0.0 111.262 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 p -62.83 -39.67 95.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 119.293 -0.384 . . . . 0.0 111.689 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -63.68 -45.34 90.51 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -59.4 -49.25 78.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.096 1.358 . . . . 0.0 109.934 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.6 mt -60.68 -42.52 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 118.586 0.63 . . . . 0.0 109.897 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -75.42 2.05 12.41 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 117.214 -1.374 . . . . 0.0 113.14 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 57.88 44.86 19.29 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 120.659 1.572 . . . . 0.0 108.025 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.01 -6.26 7.86 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 127.349 2.26 . . . . 0.0 113.925 -178.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -80.82 157.63 25.66 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 120.725 1.602 . . . . 0.0 109.882 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -152.09 103.71 2.91 Favored 'General case' 0 CA--C 1.52 -0.192 0 O-C-N 120.982 -1.074 . . . . 0.0 108.761 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.01 107.69 0.99 Allowed Glycine 0 C--O 1.224 -0.507 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 55.98 39.33 30.54 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.034 0.917 . . . . 0.0 111.156 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -58.85 -34.6 71.76 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.108 -0.995 . . . . 0.0 110.008 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -67.2 -33.63 75.79 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.698 1.599 . . . . 0.0 110.013 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -65.31 -50.77 64.39 Favored 'General case' 0 C--N 1.341 0.198 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.26 -52.74 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.381 1.472 . . . . 0.0 110.706 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.4 p -53.83 -47.93 70.43 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.001 0.819 . . . . 0.0 110.272 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -64.24 -35.91 82.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.41 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.7 m -69.28 -36.8 77.43 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.0 mt -67.9 -32.39 72.83 Favored 'General case' 0 C--N 1.343 0.317 0 O-C-N 121.422 -0.799 . . . . 0.0 109.836 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -49.48 77.46 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.319 0.648 . . . . 0.0 111.044 178.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.7 mtt85 -59.53 -38.09 80.1 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 122.234 -0.291 . . . . 0.0 110.929 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 50.4 t90 -69.36 -42.43 75.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 118.969 -0.539 . . . . 0.0 110.12 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -36.27 83.23 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.179 0.899 . . . . 0.0 109.625 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -59.42 -46.34 88.99 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 117.153 -1.404 . . . . 0.0 109.533 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -72.34 -31.83 65.98 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.79 1.177 . . . . 0.0 111.319 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -52.24 53.45 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -92.32 2.72 56.47 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.92 0 CA-C-N 121.759 2.072 . . . . 0.0 109.889 178.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.622 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.95 166.01 30.69 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.17 1.913 . . . . 0.0 108.445 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 ptm -153.38 166.31 33.04 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -113.71 178.06 4.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.724 0.773 . . . . 0.0 111.335 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 mt -51.99 -42.79 35.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 125.135 1.374 . . . . 0.0 111.803 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 p -65.86 -43.53 88.15 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.347 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.88 -43.08 85.84 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 123.922 0.889 . . . . 0.0 110.387 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.03 -56.66 15.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 124.903 1.281 . . . . 0.0 108.324 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -63.58 -35.29 80.0 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 119.324 -0.95 . . . . 0.0 111.079 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.84 -17.67 65.0 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.193 0.997 . . . . 0.0 112.175 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.7 -56.23 2.15 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.5 mt -52.53 -33.58 45.97 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.907 1.683 . . . . 0.0 113.473 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -50.99 -47.98 61.41 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -57.47 -48.58 78.8 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.33 1.452 . . . . 0.0 110.296 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.36 -38.05 68.31 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.179 1.392 . . . . 0.0 113.397 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.5 m -82.17 -24.97 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 118.889 -1.124 . . . . 0.0 112.313 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -74.1 -34.91 64.11 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.81 -0.02 56.95 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.708 1.603 . . . . 0.0 112.46 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 56.96 28.67 15.07 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.765 1.226 . . . . 0.0 112.326 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.33 -12.12 48.71 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.925 1.69 . . . . 0.0 110.56 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 t -173.86 -171.21 0.63 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 129.957 3.303 . . . . 0.0 105.828 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -137.11 162.06 34.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 127.113 2.165 . . . . 0.0 106.44 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -60.04 -37.15 78.94 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -67.72 -43.52 79.8 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.94 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -66.44 -42.45 87.66 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.768 0.713 . . . . 0.0 109.451 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.6 -47.22 91.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.226 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.57 83.86 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 119.007 0.821 . . . . 0.0 110.606 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.13 -54.28 46.49 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.709 0.803 . . . . 0.0 111.476 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -72.75 -41.79 64.73 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 124.591 1.157 . . . . 0.0 113.963 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.1 p -73.77 -31.03 63.11 Favored 'General case' 0 C--N 1.333 -0.141 0 O-C-N 121.466 -0.771 . . . . 0.0 111.534 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.04 -4.41 62.8 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.0 mt -76.87 -174.04 2.91 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.902 1.681 . . . . 0.0 109.655 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -105.08 149.89 25.46 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 m -59.55 -34.43 72.67 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.452 1.101 . . . . 0.0 109.634 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.18 -50.94 54.36 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.6 m -51.9 -55.58 19.3 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.712 2.005 . . . . 0.0 112.935 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.0 mt -54.06 -55.87 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 123.57 0.748 . . . . 0.0 112.763 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -64.06 -32.11 73.54 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.883 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t -70.31 -31.72 69.16 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.686 0.675 . . . . 0.0 109.455 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -66.94 -53.05 35.63 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.9 mt -62.16 -42.66 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 123.353 0.661 . . . . 0.0 111.355 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -72.78 -3.54 25.96 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.565 0.62 . . . . 0.0 110.849 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 53.93 52.41 12.97 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 126.979 2.111 . . . . 0.0 108.627 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -127.51 -15.5 5.04 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 126.55 1.94 . . . . 0.0 111.724 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -70.55 142.6 51.76 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -142.38 84.02 1.85 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.03 88.76 0.07 OUTLIER Glycine 0 C--N 1.33 0.2 0 O-C-N 121.188 -0.945 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 60.29 53.68 4.27 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.962 1.305 . . . . 0.0 110.201 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.78 -31.71 72.52 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 124.475 1.11 . . . . 0.0 110.854 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -65.1 -35.64 81.77 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.93 0.872 . . . . 0.0 109.945 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -67.54 -35.53 79.24 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.43 -51.71 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 117.816 -1.088 . . . . 0.0 108.064 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.0 p -54.59 -45.14 73.54 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-N 119.798 1.181 . . . . 0.0 111.021 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -60.45 -36.34 77.99 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.597 0.635 . . . . 0.0 111.476 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -70.5 -39.62 74.04 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.98 -38.38 88.4 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 118.545 -0.74 . . . . 0.0 109.353 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -53.92 51.42 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 124.184 0.994 . . . . 0.0 110.351 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.28 -32.75 62.64 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -78.2 -48.69 15.28 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.99 -36.25 78.95 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.322 1.049 . . . . 0.0 111.252 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -55.48 -44.22 76.29 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.023 1.329 . . . . 0.0 110.061 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -82.72 -31.57 28.42 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.269 -0.895 . . . . 0.0 111.528 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -62.66 1.32 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.1 0.56 . . . . 0.0 109.989 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -74.9 -29.96 61.14 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.171 1.389 . . . . 0.0 111.977 -179.633 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.726 0 N-CA-C 112.243 -0.343 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -61.6 128.47 24.75 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 124.048 3.165 . . . . 0.0 108.739 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 ptm -148.8 149.57 31.57 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -86.52 169.59 12.67 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 mt -53.08 -41.9 43.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 118.488 0.586 . . . . 0.0 109.961 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.9 p -56.52 -29.35 61.77 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.264 1.025 . . . . 0.0 113.374 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -81.65 -32.63 31.79 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 123.875 0.87 . . . . 0.0 111.723 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.6 mt -63.86 -60.84 2.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 124.167 0.987 . . . . 0.0 108.383 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.1 ptt85 -60.27 -34.63 74.0 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.32 -14.53 61.0 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 117.948 -1.025 . . . . 0.0 113.516 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.03 -48.83 3.01 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.4 mt -52.76 -34.62 53.85 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.68 1.192 . . . . 0.0 112.918 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -61.16 -44.21 97.66 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.729 0.412 . . . . 0.0 109.897 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -62.82 -39.37 94.08 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.879 1.272 . . . . 0.0 108.858 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -51.77 68.3 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.077 1.351 . . . . 0.0 110.32 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.89 -30.6 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 O-C-N 121.911 -0.493 . . . . 0.0 112.051 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.2 -36.36 79.68 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 121.357 -0.839 . . . . 0.0 110.787 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -97.21 8.81 43.79 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.199 1.4 . . . . 0.0 111.692 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 56.57 24.1 8.37 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.346 1.858 . . . . 0.0 112.372 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.96 -29.72 67.37 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 125.52 1.528 . . . . 0.0 110.184 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -163.29 -179.72 6.79 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.619 1.567 . . . . 0.0 106.866 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.2 m -138.4 159.55 41.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -52.44 -38.43 59.18 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.226 0.61 . . . . 0.0 111.177 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.04 -52.57 64.73 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 123.985 0.914 . . . . 0.0 110.42 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -64.81 -52.26 57.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 117.401 -1.285 . . . . 0.0 109.192 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.7 mt -51.27 -45.46 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 120.359 1.436 . . . . 0.0 109.478 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.23 -45.54 84.25 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.376 1.07 . . . . 0.0 111.617 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.84 -41.02 99.18 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.922 0.489 . . . . 0.0 110.211 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.05 -39.93 87.0 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.626 1.571 . . . . 0.0 111.992 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.9 p -93.86 -8.04 41.5 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.3 5.34 62.56 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.862 1.22 . . . . 0.0 111.043 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.9 mt -82.16 171.94 13.74 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.089 1.444 . . . . 0.0 108.677 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.97 145.57 27.06 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.7 p -61.12 -35.01 75.88 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.309 -0.869 . . . . 0.0 113.088 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.41 -21.18 79.21 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-N 119.14 0.882 . . . . 0.0 112.6 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.9 m -70.21 -53.83 15.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 118.107 0.953 . . . . 0.0 109.898 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.2 mt -54.29 -51.8 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 C-N-CA 124.166 0.986 . . . . 0.0 110.833 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.4 p -60.47 -39.29 87.09 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 111.527 0.195 . . . . 0.0 111.527 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 t -67.55 -43.83 79.77 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.61 0.364 . . . . 0.0 110.268 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.1 -48.44 76.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 126.126 1.77 . . . . 0.0 109.136 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.5 -32.91 52.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 124.582 1.153 . . . . 0.0 111.535 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -88.16 1.79 53.6 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.642 1.177 . . . . 0.0 112.129 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.94 35.32 16.32 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 128.489 2.716 . . . . 0.0 110.924 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -120.86 5.31 10.46 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.15 1.38 . . . . 0.0 114.072 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -70.16 98.76 1.39 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 120.458 1.481 . . . . 0.0 108.589 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -79.46 71.09 6.01 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.9 -165.17 18.33 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 125.414 1.483 . . . . 0.0 109.595 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -71.56 87.97 0.92 Allowed 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.205 1.402 . . . . 0.0 109.179 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -70.81 -31.35 68.07 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 117.031 -1.461 . . . . 0.0 111.319 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -59.33 -35.08 73.18 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 119.313 0.961 . . . . 0.0 110.318 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -74.09 -45.37 49.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 82.5 t -61.34 -49.94 82.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.062 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.7 p -54.32 -54.01 46.15 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.113 0.965 . . . . 0.0 108.523 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -56.18 -40.47 74.01 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 117.541 -1.219 . . . . 0.0 112.637 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.6 m -69.77 -38.36 76.71 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 120.144 1.338 . . . . 0.0 109.27 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.75 -32.03 72.36 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 117.651 -1.166 . . . . 0.0 109.836 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -61.01 -51.77 67.82 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.759 1.163 . . . . 0.0 109.589 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -56.82 -46.16 81.83 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -60.94 -47.28 87.17 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.647 0.379 . . . . 0.0 110.197 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.99 -35.97 82.44 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.029 1.331 . . . . 0.0 111.811 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -60.93 -40.49 93.4 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -78.38 -37.83 43.24 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 119.179 0.899 . . . . 0.0 110.147 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.44 -49.0 77.65 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 119.03 0.832 . . . . 0.0 110.685 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -75.58 0.26 18.03 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.203 0 CA-C-N 120.754 1.615 . . . . 0.0 109.932 -179.244 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.75 0 CA-C-O 118.645 -1.086 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -75.36 7.98 2.76 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 124.168 3.245 . . . . 0.0 114.807 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 ptm -59.0 138.33 57.56 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.927 1.239 . . . . 0.0 108.842 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -72.49 165.25 25.0 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.3 mt -52.7 -39.03 29.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 124.244 1.018 . . . . 0.0 109.423 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 t -60.52 -35.53 76.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.639 1.176 . . . . 0.0 110.881 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -72.58 -33.25 66.62 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 120.843 -1.16 . . . . 0.0 110.58 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.17 -54.83 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -59.93 -41.8 92.56 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.656 -0.418 . . . . 0.0 109.945 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.18 -13.83 51.18 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.863 1.265 . . . . 0.0 113.498 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.72 -52.78 1.76 Allowed Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 107.027 -2.429 . . . . 0.0 107.027 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.4 mt -52.94 -35.53 58.74 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.447 1.099 . . . . 0.0 112.143 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -57.11 -46.95 82.19 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.7 m -57.95 -45.13 87.13 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.047 0.939 . . . . 0.0 110.014 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.74 -45.59 93.71 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.887 0.875 . . . . 0.0 111.198 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.4 m -77.75 -34.24 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 119.684 1.129 . . . . 0.0 112.092 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.88 -32.46 74.18 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 121.078 -1.014 . . . . 0.0 112.356 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -99.45 14.83 28.44 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.735 0.698 . . . . 0.0 111.402 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 52.8 38.8 27.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.386 1.474 . . . . 0.0 110.434 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.95 -44.14 41.37 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -151.91 144.65 24.32 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.3 p -88.74 165.42 14.73 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.91 0.386 . . . . 0.0 110.202 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -57.12 -37.48 72.03 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -63.0 -53.28 56.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.3 1.04 . . . . 0.0 109.562 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.514 HE21 ' HG3' ' A' ' 27' ' ' GLU . 50.0 tp60 -59.64 -45.2 92.69 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.543 -0.741 . . . . 0.0 111.343 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.59 -45.65 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.29 97.47 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 121.369 -0.832 . . . . 0.0 111.309 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -59.15 -43.95 92.07 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 124.662 1.185 . . . . 0.0 110.054 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.514 ' HG3' HE21 ' A' ' 23' ' ' GLN . 66.3 mt-10 -76.75 -44.61 32.42 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.406 1.083 . . . . 0.0 112.88 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.7 p -78.24 -12.88 60.03 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.81 2.39 81.32 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 121.203 -0.935 . . . . 0.0 111.325 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.7 mt -85.24 -175.3 5.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.6 t -104.78 153.11 21.74 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.6 p -58.79 -42.11 88.3 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.43 -53.01 49.74 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-O 117.95 -1.472 . . . . 0.0 109.459 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.6 m -45.89 -55.34 6.83 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 124.963 1.305 . . . . 0.0 110.601 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.2 mt -55.65 -57.18 8.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 C-N-CA 124.131 0.972 . . . . 0.0 110.959 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 p -56.97 -37.48 71.66 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -44.0 68.07 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.077 1.351 . . . . 0.0 110.669 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.62 -38.46 81.38 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 126.311 1.844 . . . . 0.0 109.953 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.77 -52.02 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 C-N-CA 124.853 1.261 . . . . 0.0 108.485 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -71.85 13.51 0.28 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 61.52 15.46 6.74 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.377 -1.452 . . . . 0.0 112.936 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -93.73 -23.52 18.18 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 120.5 -1.375 . . . . 0.0 113.034 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -64.92 145.71 55.94 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 120.095 1.316 . . . . 0.0 109.124 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -150.59 146.06 26.3 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.531 1.132 . . . . 0.0 108.058 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.52 -97.37 0.29 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 107.261 -2.336 . . . . 0.0 107.261 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -125.06 66.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.938 1.695 . . . . 0.0 109.857 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -54.34 -32.11 55.98 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 114.36 -1.291 . . . . 0.0 110.83 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -66.11 -34.53 78.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.312 1.845 . . . . 0.0 110.624 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -75.23 -39.89 59.53 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 119.418 -2.052 . . . . 0.0 108.325 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.3 -47.78 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 81.5 p -57.71 -50.1 74.32 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -58.39 -39.25 79.15 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.42 0.688 . . . . 0.0 111.622 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.1 m -65.2 -38.79 91.56 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.03 -44.04 73.51 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.31 -0.853 . . . . 0.0 108.821 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.36 -47.38 66.15 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 124.098 0.959 . . . . 0.0 111.502 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -61.27 -42.97 99.53 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 118.76 0.709 . . . . 0.0 111.584 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -63.47 -49.73 72.47 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.808 0.843 . . . . 0.0 109.303 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -36.44 75.2 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 126.296 1.839 . . . . 0.0 112.303 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.58 -43.9 95.65 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.514 1.126 . . . . 0.0 110.558 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -31.13 57.28 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.72 1.145 . . . . 0.0 109.466 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -58.12 9.18 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 118.726 -0.654 . . . . 0.0 110.107 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -82.59 9.93 8.42 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.144 0 O-C-N 120.358 -1.464 . . . . 0.0 107.398 179.353 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.376 0 N-CA-C 107.638 -2.185 . . . . 0.0 107.638 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -72.15 171.62 16.43 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.19 1.926 . . . . 0.0 108.728 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 mtm -129.5 146.73 51.3 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 122.991 0.516 . . . . 0.0 109.953 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -78.3 167.89 20.67 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.6 mm -52.54 -44.89 46.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 124.071 0.948 . . . . 0.0 110.373 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.1 t -60.99 -45.09 96.19 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 119.144 -0.455 . . . . 0.0 110.327 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.33 -42.18 98.94 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.628 0.771 . . . . 0.0 110.671 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.83 -57.13 10.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 C-N-CA 125.526 1.53 . . . . 0.0 107.055 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -67.61 -31.28 71.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.272 0.942 . . . . 0.0 112.29 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.84 -40.28 75.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 119.028 0.831 . . . . 0.0 110.973 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.17 -46.65 78.27 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.2 mt -56.96 -46.93 81.79 Favored 'General case' 0 CA--C 1.516 -0.327 0 O-C-N 121.905 -0.762 . . . . 0.0 112.313 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.23 -40.6 94.64 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.765 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -65.23 -42.77 93.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 119.161 0.892 . . . . 0.0 109.644 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.91 -46.85 89.03 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.702 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -75.23 -30.68 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 120.603 1.547 . . . . 0.0 112.176 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -67.77 -23.01 65.17 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.746 0.818 . . . . 0.0 111.852 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -108.8 11.38 26.29 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 125.803 1.641 . . . . 0.0 110.91 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 60.66 14.88 5.31 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.13 1.772 . . . . 0.0 113.503 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.9 -23.48 67.24 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.026 1.33 . . . . 0.0 111.686 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.8 t -153.03 -175.62 5.41 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.947 2.099 . . . . 0.0 108.471 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.4 m -147.84 152.45 37.66 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -52.61 -41.81 64.03 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.336 0.971 . . . . 0.0 112.235 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -64.57 -37.8 88.79 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-O 118.988 -0.53 . . . . 0.0 110.931 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -67.13 -48.32 68.41 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.3 mt -55.49 -46.58 78.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.6 84.85 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.126 0.876 . . . . 0.0 111.918 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.76 -46.97 87.54 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.653 0.781 . . . . 0.0 112.194 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -74.8 -44.41 49.59 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.616 0.766 . . . . 0.0 112.083 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.8 p -73.0 -31.7 64.66 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.229 -0.919 . . . . 0.0 112.065 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.1 0.63 80.45 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 125.829 1.68 . . . . 0.0 110.666 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.4 mt -88.71 167.82 13.01 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.729 1.265 . . . . 0.0 108.551 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -76.19 154.31 35.44 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.4 p -61.04 -36.36 79.35 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.85 -46.32 93.85 Favored Glycine 0 C--N 1.339 0.744 0 CA-C-O 118.316 -1.269 . . . . 0.0 110.759 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.7 m -52.2 -52.2 53.61 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.323 1.049 . . . . 0.0 110.276 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.7 mt -54.2 -56.93 7.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 124.014 0.926 . . . . 0.0 110.12 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 p -57.67 -39.9 78.16 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -46.35 80.31 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 122.999 0.519 . . . . 0.0 111.494 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.8 -44.66 86.45 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.927 1.291 . . . . 0.0 109.958 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.7 mt -65.09 -45.7 93.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -75.55 0.62 16.71 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t70 60.36 30.28 19.68 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.787 1.176 . . . . 0.0 109.768 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -117.68 4.75 12.31 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.284 1.834 . . . . 0.0 113.353 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -63.06 155.54 27.45 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.251 0.932 . . . . 0.0 110.258 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -56.06 -50.91 69.65 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.381 1.073 . . . . 0.0 113.204 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.88 -177.75 32.8 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 61.04 38.88 16.93 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 123.154 1.454 . . . . 0.0 108.565 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -53.47 -31.2 44.66 Favored 'General case' 0 C--N 1.339 0.119 0 C-N-CA 127.304 2.241 . . . . 0.0 112.418 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -59.99 -34.14 72.91 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -68.97 -34.51 75.43 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.376 -1.452 . . . . 0.0 109.083 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.16 -52.97 25.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 124.353 1.061 . . . . 0.0 109.637 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.3 p -51.8 -50.41 60.82 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.475 1.11 . . . . 0.0 111.544 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -61.3 -29.55 69.94 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.725 0.81 . . . . 0.0 112.351 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.5 m -79.72 -37.91 34.54 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.6 mt -73.23 -31.25 64.03 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.973 1.309 . . . . 0.0 110.539 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -58.92 6.53 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.795 1.238 . . . . 0.0 108.46 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -55.78 -39.99 72.04 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 118.988 -0.529 . . . . 0.0 111.862 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -62.85 -48.28 79.74 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 123.926 0.766 . . . . 0.0 110.685 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -39.76 78.35 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.22 -41.68 89.22 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.431 0.457 . . . . 0.0 109.786 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -31.41 61.76 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-O 119.138 -0.458 . . . . 0.0 110.193 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -48.74 80.49 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -74.22 8.54 2.1 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.49 0.716 . . . . 0.0 112.708 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 C-N-CA 126.028 1.731 . . . . 0.0 107.006 179.366 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.713 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -73.47 115.54 4.37 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 122.226 1.951 . . . . 0.0 108.457 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptm -64.39 145.76 55.54 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -75.5 162.09 28.62 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 118.975 -1.09 . . . . 0.0 108.703 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 mt -58.53 -32.82 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.662 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.1 m -62.6 -34.75 77.65 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.295 1.038 . . . . 0.0 109.903 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -71.84 -42.4 66.99 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 119.66 1.118 . . . . 0.0 109.676 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -52.03 -56.61 5.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 C-N-CA 124.247 1.019 . . . . 0.0 108.853 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 ptt-85 -67.67 -31.61 71.71 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 118.42 -0.8 . . . . 0.0 111.972 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.77 88.89 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 119.149 0.886 . . . . 0.0 111.431 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.57 93.65 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.3 -34.12 75.99 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.742 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -57.93 -50.76 72.24 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -54.2 -47.57 71.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.0 1.32 . . . . 0.0 109.919 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.21 -49.14 74.94 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.419 0.688 . . . . 0.0 111.373 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -77.64 -32.39 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 118.184 -0.913 . . . . 0.0 113.26 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.23 -33.55 76.07 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.216 1.406 . . . . 0.0 109.51 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -97.75 11.38 37.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.4 1.08 . . . . 0.0 110.363 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 47.3 29.68 1.31 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.32 2.248 . . . . 0.0 113.532 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -59.57 -36.52 76.38 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.943 1.697 . . . . 0.0 108.021 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 t -153.99 175.6 13.19 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 125.425 1.49 . . . . 0.0 107.852 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.96 153.52 37.17 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.145 1.778 . . . . 0.0 106.774 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -52.12 -39.25 59.58 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.707 1.139 . . . . 0.0 112.631 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -50.98 67.64 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.045 0.938 . . . . 0.0 111.405 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -63.48 -38.84 92.68 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.993 -0.527 . . . . 0.0 109.92 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 69.7 mt -58.99 -46.05 91.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.67 -49.36 77.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.287 0.949 . . . . 0.0 111.399 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.9 tp -54.4 -51.22 65.55 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.221 1.008 . . . . 0.0 111.21 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -79.9 -23.03 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.4 p -93.03 -21.08 19.95 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.676 1.126 . . . . 0.0 112.207 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.54 -0.92 78.21 Favored Glycine 0 CA--C 1.536 1.402 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.0 mt -89.17 -172.68 3.75 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.531 1.532 . . . . 0.0 107.187 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 t -115.81 148.86 39.42 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -50.92 61.85 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.458 1.503 . . . . 0.0 110.42 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.6 -38.44 87.67 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 119.151 -0.805 . . . . 0.0 111.963 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.3 m -67.3 -54.33 21.73 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.595 1.158 . . . . 0.0 109.756 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.9 mt -54.02 -54.28 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.118 0.967 . . . . 0.0 109.611 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -54.79 -44.17 73.51 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 123.962 0.905 . . . . 0.0 110.071 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -69.81 -37.73 76.36 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.358 0.526 . . . . 0.0 111.517 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -61.99 -45.77 92.17 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.78 -47.88 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -70.38 1.05 5.42 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.625 1.17 . . . . 0.0 112.135 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.06 -1.64 1.38 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 127.129 2.172 . . . . 0.0 112.148 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -71.89 -25.44 61.93 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 127.824 2.449 . . . . 0.0 115.121 -177.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -63.76 149.09 47.57 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -153.96 97.4 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.89 92.94 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 49.05 47.38 21.92 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.748 1.219 . . . . 0.0 110.04 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -55.76 -31.46 62.59 Favored 'General case' 0 C--O 1.23 0.054 0 C-N-CA 124.188 0.995 . . . . 0.0 113.497 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.8 -36.75 84.94 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.406 1.003 . . . . 0.0 109.628 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -63.21 -37.92 89.13 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.4 t -65.02 -52.65 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 117.362 -1.304 . . . . 0.0 108.11 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.4 p -54.81 -51.99 64.09 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 120.044 1.293 . . . . 0.0 110.234 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -55.76 -40.23 72.29 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.004 0.922 . . . . 0.0 111.488 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.0 m -68.66 -37.66 79.81 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.524 0.602 . . . . 0.0 110.084 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.5 mt -67.13 -36.32 81.64 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 118.267 -0.873 . . . . 0.0 109.168 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -57.7 -50.33 73.56 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 123.304 0.642 . . . . 0.0 109.697 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -58.51 -44.14 89.36 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 122.349 0.26 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -64.09 -45.7 87.55 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 118.688 -0.672 . . . . 0.0 109.499 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.61 -37.22 85.41 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 123.932 0.893 . . . . 0.0 110.823 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.91 -42.27 98.89 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.749 0.82 . . . . 0.0 108.834 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -72.94 -30.41 63.84 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.339 -0.851 . . . . 0.0 110.712 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -61.63 1.82 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.735 1.214 . . . . 0.0 113.2 -179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -67.22 -14.82 63.27 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 117.329 2.344 . . . . 0.0 117.329 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.954 0 CA-C-N 120.798 1.635 . . . . 0.0 111.09 -179.359 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.864 0 CA-C-O 119.219 -0.767 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -53.53 108.96 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 124.411 3.407 . . . . 0.0 112.61 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.5 mtp -63.44 133.1 53.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 127.145 2.178 . . . . 0.0 110.414 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.6 p-10 -77.33 168.52 19.9 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.4 mt -49.84 -40.84 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 124.668 1.187 . . . . 0.0 112.005 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 m -65.51 -41.99 92.55 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.158 0.583 . . . . 0.0 112.484 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -74.15 -38.08 63.84 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.247 0.93 . . . . 0.0 109.426 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -51.7 -55.29 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 ptt-85 -67.73 -27.23 66.62 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 118.413 -0.803 . . . . 0.0 112.18 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.46 -30.35 69.61 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.205 0.912 . . . . 0.0 111.587 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.81 -42.9 19.55 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.4 mt -58.6 -42.79 88.95 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 118.314 -0.851 . . . . 0.0 112.911 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -55.72 -44.09 77.14 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 124.124 0.89 . . . . 0.0 109.333 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -57.92 -48.43 79.92 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.35 0.977 . . . . 0.0 110.516 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.37 -46.88 85.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.978 0.911 . . . . 0.0 111.497 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.63 -32.4 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 121.06 -1.025 . . . . 0.0 112.245 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.33 -24.79 67.36 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.875 1.27 . . . . 0.0 111.935 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -109.21 10.92 25.72 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.646 0.778 . . . . 0.0 111.871 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 56.31 24.03 7.85 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.637 1.975 . . . . 0.0 112.655 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.26 -22.52 66.92 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 126.577 1.951 . . . . 0.0 113.057 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -157.82 -166.57 2.02 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 127.8 2.44 . . . . 0.0 105.263 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 m -144.64 151.86 39.61 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 120.403 -1.436 . . . . 0.0 107.581 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -52.53 -34.42 49.82 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.567 1.076 . . . . 0.0 112.432 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -62.84 -47.0 85.29 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 118.215 0.461 . . . . 0.0 111.316 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.63 -43.71 88.68 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.024 -0.989 . . . . 0.0 108.945 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 54.6 mt -56.8 -47.56 82.61 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.2 71.03 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.392 1.077 . . . . 0.0 111.276 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.27 -42.26 95.03 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.951 1.3 . . . . 0.0 112.709 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.29 -43.63 50.06 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.071 1.348 . . . . 0.0 111.835 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.8 p -73.52 -36.08 65.67 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.33 -0.856 . . . . 0.0 111.516 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.25 16.95 38.66 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 125.651 1.596 . . . . 0.0 110.206 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.7 mt -104.73 167.17 9.89 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 126.277 1.831 . . . . 0.0 107.578 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 p -88.05 155.29 19.88 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.2 p -59.36 -31.42 69.18 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.026 -1.046 . . . . 0.0 111.954 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.63 -40.68 58.6 Favored Glycine 0 C--N 1.338 0.681 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.1 m -57.65 -52.46 65.32 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 117.726 0.763 . . . . 0.0 110.633 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -56.68 -49.19 79.08 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 C-N-CA 123.31 0.644 . . . . 0.0 109.574 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.3 t -59.24 -44.47 92.35 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.537 0.608 . . . . 0.0 110.978 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -67.66 -30.16 69.63 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.468 -0.77 . . . . 0.0 110.494 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -70.64 -48.63 53.98 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.01 -41.87 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -73.29 -3.81 29.28 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.565 0.746 . . . . 0.0 110.592 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 t70 58.67 19.88 7.21 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.258 2.623 . . . . 0.0 113.101 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -85.12 -27.96 25.89 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 126.377 1.871 . . . . 0.0 112.539 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -60.23 140.58 56.93 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -144.66 108.09 4.61 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.99 92.58 2.19 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-O 118.343 -1.254 . . . . 0.0 110.523 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 107.22 17.63 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 130.591 3.556 . . . . 0.0 110.651 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -55.01 -33.98 63.08 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.345 1.058 . . . . 0.0 110.934 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -68.47 -45.14 73.22 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.947 0.794 . . . . 0.0 109.421 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.3 ttt85 -56.36 -51.2 69.17 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.266 0.626 . . . . 0.0 109.593 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.9 t -62.4 -52.81 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 123.201 0.6 . . . . 0.0 109.947 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.5 p -57.99 -43.29 86.47 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.912 0.778 . . . . 0.0 112.158 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -64.3 -29.07 70.16 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.907 1.23 . . . . 0.0 111.119 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.2 m -74.8 -39.81 61.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.4 mt -71.43 -31.23 66.97 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.731 0.812 . . . . 0.0 109.982 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -58.74 -57.49 12.79 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 124.575 1.15 . . . . 0.0 108.822 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 mtp85 -55.75 -45.11 78.13 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 123.339 0.399 . . . . 0.0 111.113 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.441 ' CZ2' ' CE1' ' A' ' 61' ' ' TYR . 86.0 t90 -58.09 -48.36 80.39 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.603 0.761 . . . . 0.0 111.233 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -37.23 72.74 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.286 1.034 . . . . 0.0 112.131 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.87 -50.19 73.23 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -30.29 70.44 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.343 0.657 . . . . 0.0 111.042 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.441 ' CE1' ' CZ2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -59.6 -31.86 69.87 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.265 -0.897 . . . . 0.0 109.474 178.725 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -111.47 7.93 20.93 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.334 1.854 . . . . 0.0 113.331 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.793 0 CA-C-N 120.098 1.317 . . . . 0.0 109.062 179.792 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.76 0 N-CA-C 109.671 -1.371 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.13 166.65 24.29 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 CA-C-N 119.399 1.599 . . . . 0.0 109.875 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptp -159.64 -171.13 3.16 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.869 1.267 . . . . 0.0 109.647 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -147.36 174.12 11.96 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.5 1.52 . . . . 0.0 109.002 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.4 mt -49.24 -43.53 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.984 1.314 . . . . 0.0 112.691 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -29.0 70.33 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.93 -47.65 36.16 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.362 1.065 . . . . 0.0 108.692 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.0 mt -50.89 -60.53 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 126.127 1.771 . . . . 0.0 108.25 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -64.17 -26.0 68.33 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 118.371 -0.823 . . . . 0.0 112.931 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.63 -20.53 61.96 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.339 0.972 . . . . 0.0 112.098 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.39 -47.18 3.85 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.2 mt -57.76 -34.72 69.85 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.576 -0.955 . . . . 0.0 113.177 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -59.71 -45.35 92.41 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.508 0.595 . . . . 0.0 109.675 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 m -64.22 -42.59 96.5 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.124 1.369 . . . . 0.0 109.014 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -46.77 83.94 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.796 0.838 . . . . 0.0 111.791 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.63 -37.47 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 C-N-CA 118.66 -1.216 . . . . 0.0 111.228 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -63.88 -32.71 74.32 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.31 0.644 . . . . 0.0 110.87 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -92.31 4.8 52.59 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.227 1.011 . . . . 0.0 111.171 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 52.74 33.95 15.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.29 1.036 . . . . 0.0 111.279 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.78 -18.25 64.8 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.79 1.236 . . . . 0.0 109.686 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 t -171.28 -168.21 0.61 Allowed 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 128.925 2.89 . . . . 0.0 106.363 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.5 p -135.56 160.3 38.92 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.885 1.674 . . . . 0.0 107.202 177.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -53.59 -36.22 61.7 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 122.067 -0.396 . . . . 0.0 110.515 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -68.67 -49.68 57.09 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 117.923 -1.037 . . . . 0.0 111.021 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -60.24 -38.22 82.78 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.109 0.868 . . . . 0.0 110.399 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.8 mt -62.66 -47.4 93.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.25 79.89 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.569 0.747 . . . . 0.0 111.472 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.52 -56.64 17.82 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.935 1.294 . . . . 0.0 109.295 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.48 -45.15 84.8 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.836 1.254 . . . . 0.0 113.909 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.2 p -77.69 -19.91 54.54 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.58 -3.11 87.31 Favored Glycine 0 CA--C 1.538 1.474 0 O-C-N 121.234 -0.916 . . . . 0.0 110.921 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.4 mt -82.9 178.27 8.24 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 119.137 1.469 . . . . 0.0 110.023 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 t -91.98 150.2 21.13 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -60.18 -42.93 96.06 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 122.885 0.474 . . . . 0.0 110.467 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.77 -36.15 86.68 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 124.138 0.875 . . . . 0.0 111.586 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.2 m -60.57 -49.26 78.27 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 117.734 0.767 . . . . 0.0 110.187 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.1 mt -54.59 -52.17 43.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 118.657 0.662 . . . . 0.0 110.173 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.0 p -61.25 -44.84 96.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.991 -0.528 . . . . 0.0 111.895 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 t -62.37 -36.4 82.16 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.253 0.621 . . . . 0.0 110.61 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -66.53 -51.02 61.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 121.282 -0.886 . . . . 0.0 109.587 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.47 -42.06 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 123.771 0.828 . . . . 0.0 109.821 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -70.09 -10.08 57.56 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.787 1.235 . . . . 0.0 111.427 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.9 t70 59.99 47.9 9.29 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 128.183 2.593 . . . . 0.0 110.768 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -131.98 -1.97 3.67 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.548 1.939 . . . . 0.0 113.128 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -61.11 135.6 57.81 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 119.5 1.045 . . . . 0.0 111.225 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -113.48 110.18 19.87 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 125.279 1.432 . . . . 0.0 107.223 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 153.58 -145.81 13.54 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 108.66 -1.776 . . . . 0.0 108.66 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -85.36 77.51 9.93 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -53.93 -32.76 54.7 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.693 -0.629 . . . . 0.0 110.085 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.69 -41.67 87.68 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.013 1.325 . . . . 0.0 110.745 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -55.93 -51.92 65.93 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.9 t -58.78 -53.48 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 O-C-N 124.643 1.214 . . . . 0.0 109.193 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -52.09 -54.35 31.34 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.497 1.119 . . . . 0.0 111.313 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -60.36 -37.46 80.78 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.903 -0.498 . . . . 0.0 111.662 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.7 m -68.48 -30.3 69.11 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.385 -0.822 . . . . 0.0 109.894 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.5 mt -76.38 -37.54 57.04 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-O 118.056 -0.973 . . . . 0.0 108.672 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -50.95 -51.84 48.4 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.255 1.022 . . . . 0.0 110.372 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 mmm-85 -56.95 -48.78 77.51 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 123.495 0.718 . . . . 0.0 110.82 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.42 ' CZ2' ' CE1' ' A' ' 61' ' ' TYR . 85.8 t90 -63.6 -44.08 95.02 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 119.543 -0.265 . . . . 0.0 110.834 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.86 -35.39 79.84 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 120.978 -1.076 . . . . 0.0 110.625 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.86 -46.28 88.62 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.318 0.647 . . . . 0.0 109.892 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -31.24 70.97 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.291 0.95 . . . . 0.0 110.102 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.42 ' CE1' ' CZ2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -72.31 -65.66 0.75 Allowed 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -179.442 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -79.21 -3.45 45.8 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 117.582 2.438 . . . . 0.0 117.582 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.413 0 CA-C-N 123.664 2.938 . . . . 0.0 113.151 -178.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.619 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -80.47 178.23 7.28 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 123.85 3.033 . . . . 0.0 111.577 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptm -157.26 160.43 38.61 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 126.046 1.738 . . . . 0.0 108.965 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -108.23 172.63 6.73 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.579 1.152 . . . . 0.0 111.36 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.8 mt -45.54 -48.89 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.626 1.571 . . . . 0.0 113.491 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.5 t -59.94 -38.75 83.31 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.779 0.832 . . . . 0.0 110.873 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.22 -40.86 64.37 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.768 -0.582 . . . . 0.0 109.982 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.09 -57.05 13.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 C-N-CA 124.989 1.316 . . . . 0.0 107.493 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -60.76 -37.77 82.96 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.645 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -36.49 75.78 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-O 118.0 -1.0 . . . . 0.0 111.194 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.04 -44.27 91.78 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.125 -1.59 . . . . 0.0 109.125 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.6 mt -57.26 -34.62 68.82 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.676 -0.897 . . . . 0.0 113.184 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -50.39 -50.33 51.95 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.576 1.15 . . . . 0.0 111.268 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.94 -46.55 88.84 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.055 0.942 . . . . 0.0 110.741 -178.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.92 -41.14 82.05 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.08 0.952 . . . . 0.0 111.354 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.7 m -81.96 -26.68 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 119.794 1.179 . . . . 0.0 111.647 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.46 -39.94 70.62 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 124.384 1.074 . . . . 0.0 111.679 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -88.56 7.36 33.58 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 54.67 29.29 11.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.953 2.501 . . . . 0.0 111.758 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.5 -26.54 67.97 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.144 1.377 . . . . 0.0 110.073 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.4 t -159.88 175.53 12.97 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.009 1.724 . . . . 0.0 108.788 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.1 m -135.25 158.85 43.32 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.208 1.803 . . . . 0.0 107.054 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -52.35 -30.69 29.87 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.212 -0.93 . . . . 0.0 112.411 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -62.67 -53.58 52.4 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 124.644 1.177 . . . . 0.0 110.473 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.416 HE21 ' HG2' ' A' ' 27' ' ' GLU . 37.0 tp60 -66.46 -42.67 87.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.416 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.0 mt -60.91 -46.41 96.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.65 -51.75 67.52 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 124.358 1.063 . . . . 0.0 110.644 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -56.96 -38.44 72.96 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' HG2' HE21 ' A' ' 23' ' ' GLN . 8.4 mm-40 -85.99 -38.01 18.37 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 p -76.19 -35.98 58.85 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.108 0.963 . . . . 0.0 110.899 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.36 -3.64 56.64 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 127.02 2.248 . . . . 0.0 110.673 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.5 mt -85.66 167.28 15.46 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 120.089 1.944 . . . . 0.0 111.074 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 t -75.96 144.92 40.72 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.0 p -56.84 -42.55 79.85 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 110.165 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.54 -37.42 89.67 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-O 118.682 -1.066 . . . . 0.0 111.44 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.7 m -62.11 -51.64 67.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 117.695 -1.145 . . . . 0.0 108.956 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.54 -50.09 74.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 119.705 1.139 . . . . 0.0 109.258 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -59.13 -41.73 88.94 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.509 -0.745 . . . . 0.0 111.595 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.68 -41.0 92.95 Favored 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 120.964 -1.085 . . . . 0.0 108.853 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -57.94 -53.32 59.6 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.761 1.225 . . . . 0.0 109.594 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 25.2 mt -58.11 -46.94 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 120.098 1.317 . . . . 0.0 110.574 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.56 1.36 16.98 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 118.511 -0.757 . . . . 0.0 112.848 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.4 t70 55.46 33.08 20.23 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.085 1.754 . . . . 0.0 112.35 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -100.68 -1.45 35.16 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 126.36 1.864 . . . . 0.0 110.711 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -63.17 159.6 17.23 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 118.167 0.44 . . . . 0.0 111.35 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -60.78 -75.21 0.07 Allowed 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.489 1.116 . . . . 0.0 110.63 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.72 -177.82 47.6 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 106.893 -2.483 . . . . 0.0 106.893 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 63.91 34.48 11.61 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.5 -31.26 61.89 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 126.929 2.092 . . . . 0.0 109.083 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -55.07 -41.35 71.39 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.46 1.504 . . . . 0.0 111.472 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -65.7 -38.03 88.09 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.048 -1.658 . . . . 0.0 109.383 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.33 -52.87 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.1 p -59.03 -47.44 85.22 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 119.343 0.974 . . . . 0.0 110.622 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -57.23 -36.3 70.74 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.611 0.764 . . . . 0.0 110.26 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.8 m -72.82 -36.19 67.46 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.78 -34.95 77.78 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 116.379 -1.772 . . . . 0.0 110.378 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -54.0 -47.62 71.26 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 119.682 1.128 . . . . 0.0 110.134 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -57.58 -40.57 79.29 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.623 0.647 . . . . 0.0 112.432 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -73.1 -50.93 20.03 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.959 -0.463 . . . . 0.0 110.427 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.3 -36.07 79.07 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 124.564 1.146 . . . . 0.0 113.553 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -62.03 -48.37 80.56 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.252 0.621 . . . . 0.0 110.214 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -69.7 -30.99 68.77 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 118.379 0.536 . . . . 0.0 110.495 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.27 -59.34 3.81 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 123.305 0.642 . . . . 0.0 110.516 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -77.37 -1.07 28.18 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.217 0 CA-C-N 120.029 1.286 . . . . 0.0 107.747 179.592 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.036 0 CA-C-O 119.644 -0.531 . . . . 0.0 112.166 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -73.76 126.5 10.8 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.252 2.635 . . . . 0.0 109.909 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 ptm -73.45 146.76 44.75 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -94.69 167.95 11.13 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.392 1.077 . . . . 0.0 110.782 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 mm -47.1 -46.9 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 126.712 2.005 . . . . 0.0 111.69 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.8 p -64.06 -30.86 71.9 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -79.23 -39.92 31.94 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.27 -54.43 32.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 C-N-CA 125.616 1.566 . . . . 0.0 108.133 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -60.14 -39.36 86.05 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.267 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.21 83.24 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.382 1.073 . . . . 0.0 112.261 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.67 97.9 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.8 mt -61.0 -34.27 74.54 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 122.108 -0.643 . . . . 0.0 112.02 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -48.05 81.35 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 118.092 -0.956 . . . . 0.0 108.813 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 m -54.1 -43.39 70.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.485 0.584 . . . . 0.0 111.915 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.94 -54.36 46.98 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.57 0.748 . . . . 0.0 110.285 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.79 -34.53 61.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.345 -0.847 . . . . 0.0 111.939 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.84 -26.56 68.2 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.323 1.449 . . . . 0.0 111.401 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -105.35 8.35 33.69 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.296 1.438 . . . . 0.0 110.934 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 59.47 19.95 8.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.8 2.04 . . . . 0.0 112.749 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -55.9 -42.69 76.4 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 127.752 2.421 . . . . 0.0 113.939 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 t -154.47 143.55 21.11 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 p -79.39 157.63 27.56 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.422 0.63 . . . . 0.0 110.782 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -54.83 -30.91 58.57 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.963 0.905 . . . . 0.0 110.255 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -72.09 -48.85 40.98 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 126.664 1.986 . . . . 0.0 109.713 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -57.84 -44.83 86.78 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 83.0 mt -56.71 -43.33 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.74 -48.24 77.84 Favored 'General case' 0 C--N 1.339 0.112 0 O-C-N 121.323 -0.861 . . . . 0.0 112.141 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -47.16 86.88 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.372 0.606 . . . . 0.0 109.968 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HB2' ' HE1' ' A' ' 57' ' ' TRP . 17.8 mt-10 -70.54 -42.64 70.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.5 p -76.2 -22.48 55.23 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 119.533 1.06 . . . . 0.0 111.713 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.33 -0.74 89.27 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.288 1.423 . . . . 0.0 111.349 -178.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.2 mt -86.75 165.56 15.95 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.7 p -81.63 163.12 22.78 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 119.45 -0.9 . . . . 0.0 108.627 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -46.61 89.53 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 177.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.69 -44.64 69.34 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-O 118.756 -1.025 . . . . 0.0 111.021 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.2 m -53.36 -55.54 24.03 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.231 0.613 . . . . 0.0 111.557 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.4 mt -53.94 -55.22 15.06 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 C-N-CA 124.336 1.054 . . . . 0.0 111.159 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 p -61.72 -41.71 97.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 t -67.35 -37.62 83.53 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -65.52 -47.47 75.85 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.703 1.201 . . . . 0.0 109.11 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.1 mt -63.89 -37.89 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 118.648 0.658 . . . . 0.0 109.949 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -83.72 4.63 27.94 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.879 0.872 . . . . 0.0 111.204 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 61.82 3.05 0.82 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 129.044 2.938 . . . . 0.0 113.01 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -73.08 -15.26 61.5 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.299 1.839 . . . . 0.0 112.821 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -65.96 91.07 0.14 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 119.95 1.25 . . . . 0.0 112.204 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -87.39 70.29 9.94 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.12 -154.51 6.75 Favored Glycine 0 CA--C 1.519 0.322 0 N-CA-C 108.902 -1.679 . . . . 0.0 108.902 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -73.18 66.57 0.88 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.046 1.738 . . . . 0.0 109.863 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -50.68 -42.46 56.84 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.383 1.873 . . . . 0.0 112.45 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -69.28 -35.56 76.17 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.772 0.714 . . . . 0.0 112.2 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -68.28 -41.41 81.05 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 120.451 -1.405 . . . . 0.0 108.035 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.52 -50.64 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.8 p -55.82 -51.39 67.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.108 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -56.71 -39.82 74.55 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 118.956 0.798 . . . . 0.0 111.225 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.9 m -68.01 -30.73 70.05 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.258 0.481 . . . . 0.0 109.915 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.8 mt -77.1 -32.62 56.74 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.272 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -59.06 -55.15 38.76 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 119.067 0.849 . . . . 0.0 109.396 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -58.37 -41.3 84.44 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.721 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.412 ' HE1' ' HB2' ' A' ' 27' ' ' GLU . 89.4 t90 -61.31 -50.4 73.13 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 119.383 -0.341 . . . . 0.0 110.089 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.44 -37.13 85.98 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.757 0.708 . . . . 0.0 111.453 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.55 -36.0 81.6 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.992 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -31.36 69.18 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 121.422 1.919 . . . . 0.0 109.128 178.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.55 -65.85 0.63 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 125.326 1.45 . . . . 0.0 108.65 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -70.08 -23.24 63.03 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.203 0 C-N-CA 126.204 1.802 . . . . 0.0 110.013 -178.484 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.783 0 CA-C-O 118.078 -1.401 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -59.68 159.96 22.63 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.992 2.461 . . . . 0.0 111.419 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptm -156.85 156.52 33.32 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.805 1.242 . . . . 0.0 109.488 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -97.83 178.84 5.0 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.758 -0.589 . . . . 0.0 110.993 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.5 mt -55.39 -44.47 75.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.108 -0.995 . . . . 0.0 112.764 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 t -62.73 -29.03 70.37 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.376 0.535 . . . . 0.0 110.12 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -77.4 -31.22 53.98 Favored 'General case' 0 N--CA 1.458 -0.071 0 O-C-N 120.72 -1.237 . . . . 0.0 111.225 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.51 -57.39 11.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.0 ptt-85 -58.18 -33.26 69.06 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 118.925 -0.559 . . . . 0.0 112.199 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.99 -26.34 64.41 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 118.776 -0.631 . . . . 0.0 112.518 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.56 -50.15 4.11 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -53.39 -37.27 62.3 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -60.26 -43.64 95.97 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 118.365 0.529 . . . . 0.0 109.671 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.6 m -61.52 -44.72 96.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.515 1.126 . . . . 0.0 109.111 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.53 -41.6 81.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.586 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.56 -33.32 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 119.802 1.183 . . . . 0.0 111.643 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -63.25 -26.4 68.77 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.663 0.785 . . . . 0.0 111.693 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -105.57 11.44 32.39 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.273 1.029 . . . . 0.0 109.491 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 50.58 31.49 5.74 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 127.962 2.505 . . . . 0.0 113.079 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.72 -31.23 72.37 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.364 1.466 . . . . 0.0 111.284 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.3 t -160.26 165.3 31.68 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.7 p -104.68 165.34 11.13 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.934 0.873 . . . . 0.0 111.856 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -57.46 -42.36 82.41 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.54 -45.62 89.73 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 117.735 -1.126 . . . . 0.0 110.749 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -62.87 -48.72 77.81 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 117.835 -1.078 . . . . 0.0 109.91 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.8 mt -55.66 -44.8 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 120.063 1.301 . . . . 0.0 108.609 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.99 93.19 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.616 0.766 . . . . 0.0 112.324 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 tp -64.95 -49.01 72.01 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 123.93 0.892 . . . . 0.0 109.29 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.75 -48.01 83.73 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.02 1.328 . . . . 0.0 110.33 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.4 p -79.51 -12.01 59.88 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.526 0.73 . . . . 0.0 112.855 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.39 12.74 73.32 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.37 0.986 . . . . 0.0 111.228 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.7 mt -87.7 166.51 14.61 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.118 1.459 . . . . 0.0 108.832 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.8 132.75 34.38 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 105.655 -1.98 . . . . 0.0 105.655 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.4 p -50.75 -30.12 13.2 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 121.856 2.117 . . . . 0.0 115.909 -176.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.42 -19.03 77.37 Favored Glycine 0 CA--C 1.539 1.545 0 CA-C-N 122.177 2.262 . . . . 0.0 112.708 178.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.1 m -67.81 -56.54 8.79 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.261 1.53 . . . . 0.0 114.351 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.7 mt -52.98 -57.17 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 C-N-CA 129.451 3.101 . . . . 0.0 108.968 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p -56.41 -43.38 79.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.545 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -66.91 -42.2 85.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.483 0.583 . . . . 0.0 110.808 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -60.21 -50.25 74.41 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.781 1.632 . . . . 0.0 108.623 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.2 mt -62.94 -41.16 91.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.808 0.843 . . . . 0.0 109.733 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -79.02 5.48 11.66 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.129 0.972 . . . . 0.0 113.514 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 61.64 31.25 18.72 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.357 1.863 . . . . 0.0 111.735 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -119.08 -2.72 10.72 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 117.316 -1.326 . . . . 0.0 113.079 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -72.38 104.44 3.76 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 120.444 1.475 . . . . 0.0 107.457 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -92.22 90.37 7.27 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 104.192 -2.521 . . . . 0.0 104.192 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.59 -159.48 23.62 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -70.94 68.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 128.379 2.672 . . . . 0.0 111.761 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -57.26 -32.07 66.2 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 121.406 -0.809 . . . . 0.0 109.437 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -62.83 -34.38 77.2 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.396 1.478 . . . . 0.0 111.262 178.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -74.99 -51.28 14.03 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 120.529 -1.357 . . . . 0.0 108.39 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -58.13 -46.62 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 125.714 1.606 . . . . 0.0 111.922 -179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.2 p -52.72 -51.35 60.81 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.052 0.941 . . . . 0.0 110.138 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -61.07 -39.2 89.0 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 118.539 -0.743 . . . . 0.0 112.608 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.7 m -65.59 -41.82 92.37 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.18 -39.35 92.77 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 118.579 -0.724 . . . . 0.0 110.226 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -51.57 68.55 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 123.823 0.849 . . . . 0.0 110.95 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -61.73 -34.97 76.75 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 118.444 -0.788 . . . . 0.0 112.847 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -67.45 -52.79 35.26 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 124.439 1.087 . . . . 0.0 108.112 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.47 -46.83 80.22 Favored 'General case' 0 C--O 1.23 0.071 0 C-N-CA 125.336 1.454 . . . . 0.0 113.874 -178.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -59.3 -49.34 78.22 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.269 0.08 . . . . 0.0 110.889 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -31.89 73.21 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 118.646 -0.692 . . . . 0.0 110.005 178.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -62.18 1.82 Allowed 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.686 1.195 . . . . 0.0 110.905 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -75.8 4.94 7.01 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 178.923 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.584 0 N-CA-C 110.516 -1.033 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -73.93 86.23 1.27 Allowed 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 123.968 3.112 . . . . 0.0 109.99 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.1 mtp -44.48 122.12 2.93 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 127.081 2.152 . . . . 0.0 110.247 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -64.61 167.1 7.65 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -43.41 -44.9 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.589 1.955 . . . . 0.0 109.816 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.88 -51.54 63.36 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 128.143 2.577 . . . . 0.0 113.867 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -74.7 -35.29 62.72 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.26 0.624 . . . . 0.0 110.35 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.36 -59.33 4.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.093 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.4 ptt85 -57.46 -37.48 72.94 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 117.892 -1.051 . . . . 0.0 113.267 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.99 -46.11 82.47 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 123.628 0.58 . . . . 0.0 111.733 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.72 -42.43 99.39 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.9 mt -59.27 -34.1 71.85 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.577 0.751 . . . . 0.0 112.131 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -61.89 -48.48 80.29 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -62.91 -37.45 87.04 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.315 1.046 . . . . 0.0 110.719 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.47 -47.87 80.01 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.78 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 m -69.64 -31.97 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 118.557 -1.257 . . . . 0.0 110.053 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.66 -33.3 73.73 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.298 0.639 . . . . 0.0 109.895 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -95.78 3.16 54.02 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.104 1.362 . . . . 0.0 110.633 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 62.31 12.57 5.31 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.825 2.05 . . . . 0.0 112.811 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.15 -25.58 61.63 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.048 1.739 . . . . 0.0 109.777 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -150.15 171.12 17.42 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.788 1.635 . . . . 0.0 107.229 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.03 156.53 47.72 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 127.178 2.191 . . . . 0.0 105.374 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -52.9 -37.14 60.34 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.729 0.695 . . . . 0.0 111.199 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -71.5 -44.86 63.91 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.87 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -60.24 -45.71 92.31 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.222 1.009 . . . . 0.0 110.85 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.36 -51.78 65.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.68 -33.65 74.36 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.928 1.291 . . . . 0.0 113.115 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.2 tp -69.86 -48.83 57.33 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 124.057 0.943 . . . . 0.0 110.424 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -74.16 -43.66 56.53 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.264 0.626 . . . . 0.0 110.759 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.0 p -73.63 -21.45 60.3 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.69 1.132 . . . . 0.0 113.361 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.04 -6.68 78.29 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 123.985 0.802 . . . . 0.0 112.739 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.4 mt -75.64 170.26 16.51 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.422 1.489 . . . . 0.0 110.729 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.9 t -80.01 150.38 30.43 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -60.71 -45.37 94.47 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 118.943 0.792 . . . . 0.0 109.573 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.91 -42.48 70.01 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-O 118.45 -1.194 . . . . 0.0 112.084 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.1 m -53.23 -57.34 10.84 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.522 1.161 . . . . 0.0 111.431 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 mt -53.93 -54.42 20.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 123.968 0.907 . . . . 0.0 111.198 -178.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 p -58.99 -40.37 84.64 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 118.352 0.523 . . . . 0.0 112.27 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -66.2 -48.97 68.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -59.43 -46.82 87.64 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.058 1.743 . . . . 0.0 110.593 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.1 mt -55.99 -34.62 38.55 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 O-C-N 121.778 -0.577 . . . . 0.0 111.769 -179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -98.83 7.45 46.03 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 118.556 -0.735 . . . . 0.0 112.834 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.8 t70 57.94 41.6 24.23 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.982 1.372 . . . . 0.0 108.906 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -112.3 -5.84 14.12 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.414 1.885 . . . . 0.0 112.113 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -76.16 171.26 14.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.857 1.263 . . . . 0.0 110.825 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -72.46 -169.98 0.6 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 128.663 2.785 . . . . 0.0 108.622 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.17 -169.33 41.63 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 107.413 -2.275 . . . . 0.0 107.413 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.7 t0 67.33 28.65 7.84 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.151 1.38 . . . . 0.0 109.004 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -53.05 -31.36 41.12 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 126.647 1.979 . . . . 0.0 108.893 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -53.72 -50.66 65.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.139 2.576 . . . . 0.0 111.074 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -59.69 -47.89 83.85 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.575 1.15 . . . . 0.0 109.224 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.6 t -64.29 -53.51 42.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 123.576 0.75 . . . . 0.0 109.881 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 p -55.0 -48.41 73.35 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.483 1.113 . . . . 0.0 111.226 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -61.74 -33.39 73.96 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.699 1.136 . . . . 0.0 111.312 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.2 m -68.56 -41.96 79.02 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.56 -34.11 73.72 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.854 0.862 . . . . 0.0 109.986 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -55.97 26.93 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.87 1.668 . . . . 0.0 107.984 178.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -55.25 -46.04 76.05 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.429 0.692 . . . . 0.0 109.379 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.5 t90 -61.41 -42.07 98.14 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 119.158 -0.448 . . . . 0.0 110.996 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.03 -39.28 90.08 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.613 1.097 . . . . 0.0 110.335 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -61.02 -39.54 90.12 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -73.94 -31.46 63.06 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 119.559 1.072 . . . . 0.0 110.223 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -59.47 3.31 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 118.623 0.647 . . . . 0.0 109.438 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -69.38 -18.53 63.78 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-N 121.126 1.784 . . . . 0.0 111.808 -178.599 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.4 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -64.44 179.84 1.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.679 2.919 . . . . 0.0 111.901 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 mtm -124.81 166.27 16.53 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 122.09 0.948 . . . . 0.0 112.255 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -95.7 162.35 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 126.763 2.025 . . . . 0.0 108.172 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.1 mm -54.83 -42.43 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.0 t -52.08 -45.56 64.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 126.884 2.074 . . . . 0.0 111.507 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -71.93 -42.9 66.1 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.551 0.74 . . . . 0.0 111.321 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.19 -54.6 32.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -61.76 -35.37 77.92 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.52 -0.737 . . . . 0.0 110.814 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.33 -15.9 63.63 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 118.67 0.668 . . . . 0.0 111.33 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.72 -59.1 2.04 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.6 mt -55.25 -36.53 66.15 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.13 0.972 . . . . 0.0 113.228 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -61.01 -42.45 98.47 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.016 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -58.73 -44.01 90.36 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 118.889 0.768 . . . . 0.0 109.348 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.17 -49.92 72.62 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 123.826 0.704 . . . . 0.0 110.395 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -75.05 -32.43 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.283 -0.885 . . . . 0.0 112.862 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.82 -30.89 69.54 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 124.749 1.22 . . . . 0.0 111.36 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -97.2 6.42 48.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.34 1.056 . . . . 0.0 109.89 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 55.5 31.97 18.09 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.282 1.833 . . . . 0.0 111.857 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -66.76 -30.69 70.97 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.638 1.575 . . . . 0.0 108.81 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 t -163.22 -177.72 5.54 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.276 1.83 . . . . 0.0 109.345 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.2 p -121.61 162.8 20.01 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.603 1.161 . . . . 0.0 111.314 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -60.26 -35.12 74.78 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.862 0.865 . . . . 0.0 109.331 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -46.99 86.16 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 108.247 -1.019 . . . . 0.0 108.247 178.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -64.47 -48.76 74.02 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.084 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.0 mt -55.49 -45.63 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.73 -48.57 78.65 Favored 'General case' 0 C--O 1.224 -0.249 0 O-C-N 121.397 -0.815 . . . . 0.0 111.91 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.55 -39.62 88.59 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.684 0.794 . . . . 0.0 112.809 -178.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.96 -46.88 15.9 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.244 1.018 . . . . 0.0 110.728 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -70.97 -26.41 63.14 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 120.8 -1.188 . . . . 0.0 111.67 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.1 4.89 86.36 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 125.476 1.512 . . . . 0.0 110.591 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.2 mt -86.02 166.17 16.09 Favored 'General case' 0 C--N 1.338 0.1 0 CA-C-N 119.382 1.591 . . . . 0.0 109.351 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 t -73.32 141.57 47.12 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -32.54 69.45 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 125.009 1.324 . . . . 0.0 112.935 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.62 -38.75 19.73 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.2 m -56.79 -45.84 81.91 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 125.183 1.393 . . . . 0.0 112.055 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.8 mt -58.35 -46.34 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.11 -44.29 87.62 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 121.918 -0.489 . . . . 0.0 112.073 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -47.14 85.09 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -56.65 -47.41 79.82 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.53 1.132 . . . . 0.0 110.359 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.89 -33.19 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 O-C-N 121.732 -0.605 . . . . 0.0 110.206 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -84.22 1.98 42.01 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.217 0.917 . . . . 0.0 110.811 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 t70 70.9 10.19 6.93 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 128.341 2.656 . . . . 0.0 111.611 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -87.13 7.27 28.77 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.145 1.778 . . . . 0.0 114.069 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -85.99 155.06 21.03 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.322 1.419 . . . . 0.0 107.189 178.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -149.97 152.43 34.94 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.119 1.367 . . . . 0.0 109.417 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.12 -49.81 4.16 Favored Glycine 0 C--N 1.331 0.287 0 N-CA-C 118.153 2.021 . . . . 0.0 118.153 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.69 21.62 12.42 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.56 1.18 . . . . 0.0 112.599 -177.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -49.3 -47.41 46.98 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 126.284 1.833 . . . . 0.0 112.067 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.1 -45.19 86.2 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.728 0.695 . . . . 0.0 110.573 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -61.66 -43.17 99.36 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 120.779 -1.201 . . . . 0.0 109.868 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.12 -51.2 75.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.9 p -57.11 -49.91 74.43 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.655 0.782 . . . . 0.0 110.317 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -57.38 -35.4 69.94 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.793 1.237 . . . . 0.0 111.584 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.6 m -75.62 -35.64 60.46 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.477 -0.764 . . . . 0.0 109.235 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.6 mt -71.18 -36.17 71.88 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 123.809 0.844 . . . . 0.0 109.781 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -50.37 73.42 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 125.024 1.329 . . . . 0.0 110.023 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -61.02 -43.18 99.27 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.029 0.532 . . . . 0.0 110.402 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -61.42 -49.51 76.58 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.41 -35.67 74.4 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.588 0.631 . . . . 0.0 111.833 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -67.33 -40.86 85.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 118.743 0.701 . . . . 0.0 109.27 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -31.68 64.07 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.606 0.639 . . . . 0.0 110.093 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.77 -44.57 69.88 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.444 0.697 . . . . 0.0 109.668 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -70.87 -5.06 27.69 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 118.65 -0.69 . . . . 0.0 111.698 177.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.912 0 CA-C-O 116.255 -1.831 . . . . 0.0 110.739 -179.709 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.754 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -67.63 150.16 79.56 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.098 1.865 . . . . 0.0 109.443 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp -143.07 125.36 15.53 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 127.16 2.184 . . . . 0.0 107.462 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -66.04 162.3 19.76 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.3 mt -47.65 -42.5 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 125.916 1.686 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.6 t -61.29 -38.02 85.28 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 117.658 -1.163 . . . . 0.0 112.611 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.79 -39.76 69.69 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 119.506 1.048 . . . . 0.0 109.625 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.7 mt -60.41 -53.71 45.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 -64.78 -34.5 78.49 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 117.608 -1.187 . . . . 0.0 111.589 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.96 -43.39 77.49 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.44 1.018 . . . . 0.0 112.39 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.93 -37.57 94.44 Favored Glycine 0 CA--C 1.523 0.581 0 CA-C-N 117.997 0.362 . . . . 0.0 112.478 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.3 -38.47 80.29 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 121.692 -0.887 . . . . 0.0 110.49 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -55.74 -48.49 75.13 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -57.15 -44.53 83.51 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.376 1.07 . . . . 0.0 110.557 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.01 -47.11 86.41 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.343 0.657 . . . . 0.0 110.451 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.9 -30.75 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-N 119.374 0.988 . . . . 0.0 112.26 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -60.37 -39.54 87.58 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 123.819 0.848 . . . . 0.0 109.975 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -92.01 9.72 32.04 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.136 1.374 . . . . 0.0 111.582 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 57.66 15.06 2.68 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.643 2.377 . . . . 0.0 114.595 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -50.21 -35.82 28.14 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 127.986 2.514 . . . . 0.0 112.195 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -163.59 166.53 22.34 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.173 0.989 . . . . 0.0 108.592 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -115.42 159.22 21.41 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -52.15 -36.94 52.93 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -64.39 -42.59 96.06 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 118.919 0.782 . . . . 0.0 110.799 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -65.17 -43.97 90.0 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 54.6 mt -59.23 -46.02 92.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.71 -45.88 88.57 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 124.196 0.999 . . . . 0.0 110.886 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.0 tp -57.81 -48.73 78.88 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.648 0.779 . . . . 0.0 111.399 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -78.24 -39.0 41.63 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -74.07 -28.06 61.21 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 121.639 -0.663 . . . . 0.0 110.586 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.73 -4.76 76.14 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 126.31 1.909 . . . . 0.0 110.199 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.6 mt -76.99 174.17 10.94 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 124.869 1.268 . . . . 0.0 108.955 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.7 t -90.5 149.13 22.32 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -55.91 -46.04 78.5 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.59 -48.38 84.88 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-O 118.226 -1.319 . . . . 0.0 111.451 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.3 m -54.09 -47.8 71.37 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 124.47 1.108 . . . . 0.0 110.676 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.1 mt -60.1 -49.19 85.02 Favored 'Isoleucine or valine' 0 C--O 1.23 0.07 0 CA-C-N 118.85 0.75 . . . . 0.0 109.444 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -61.0 -40.41 93.42 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.254 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -41.18 92.21 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 120.11 1.323 . . . . 0.0 108.759 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.78 -50.85 71.87 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.156 1.382 . . . . 0.0 110.234 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.1 mt -65.97 -44.05 92.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.096 0.558 . . . . 0.0 110.138 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -77.02 6.76 5.79 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.15 0.98 . . . . 0.0 112.331 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 61.05 16.96 7.53 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 128.11 2.564 . . . . 0.0 114.742 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -83.66 -23.3 31.83 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 120.586 -1.321 . . . . 0.0 109.196 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -72.03 129.94 39.74 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -139.32 155.24 47.84 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 126.641 1.976 . . . . 0.0 106.378 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.32 98.98 0.39 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.671 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 69.15 38.16 1.98 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.408 1.483 . . . . 0.0 110.635 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -57.34 -35.47 69.95 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.056 1.342 . . . . 0.0 110.609 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -60.76 -36.6 79.36 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.604 0.762 . . . . 0.0 110.412 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -64.35 -43.37 94.8 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 120.405 -1.435 . . . . 0.0 108.521 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -62.83 -46.61 95.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.6 p -58.4 -50.64 72.98 Favored 'General case' 0 C--N 1.34 0.186 0 CA-C-N 119.059 0.845 . . . . 0.0 109.558 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -55.76 -36.46 67.33 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 124.766 1.227 . . . . 0.0 111.554 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.1 m -70.33 -38.01 74.81 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.48 -35.15 73.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.121 -0.942 . . . . 0.0 109.937 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -57.24 -53.15 61.32 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.692 0.797 . . . . 0.0 110.29 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -58.58 -35.12 71.89 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 59.6 t90 -70.43 -54.49 12.15 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.49 -36.26 68.92 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.012 1.325 . . . . 0.0 112.489 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -59.32 -40.5 86.47 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.671 0.788 . . . . 0.0 110.751 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -82.91 -32.09 27.46 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.071 0.396 . . . . 0.0 110.311 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -52.15 65.09 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -77.52 9.51 3.27 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 CA-C-N 119.808 1.185 . . . . 0.0 110.673 179.498 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.06 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -65.97 94.02 0.28 Allowed 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 124.122 3.215 . . . . 0.0 111.998 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mtp -55.59 134.05 50.78 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.773 1.229 . . . . 0.0 110.288 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -69.59 165.19 21.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.541 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 mt -54.21 -36.29 32.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 O-C-N 121.077 -1.014 . . . . 0.0 110.239 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 t -68.44 -47.8 66.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.551 1.54 . . . . 0.0 109.639 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.07 -42.99 99.52 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.14 0.976 . . . . 0.0 110.659 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.3 mt -56.8 -59.55 2.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 124.815 1.246 . . . . 0.0 108.964 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -59.17 -36.7 75.77 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.958 0.799 . . . . 0.0 111.235 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.35 -18.54 65.42 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 118.206 -0.902 . . . . 0.0 113.297 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.76 -42.35 4.47 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 119.149 0.886 . . . . 0.0 110.95 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.2 mt -58.84 -37.86 77.42 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.17 0.985 . . . . 0.0 111.086 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -56.2 -43.1 78.18 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.066 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 m -56.75 -42.66 79.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 119.036 0.834 . . . . 0.0 111.403 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.97 -47.54 77.25 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.201 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -69.97 -38.03 74.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 118.777 -1.169 . . . . 0.0 111.932 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -61.01 -27.48 68.35 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.868 1.667 . . . . 0.0 112.031 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -100.53 7.1 44.3 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.073 1.349 . . . . 0.0 110.615 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 56.85 13.79 1.6 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 127.575 2.35 . . . . 0.0 113.511 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.48 -38.92 14.74 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.912 2.485 . . . . 0.0 111.942 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 t -160.96 143.74 12.75 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.41 157.44 23.68 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.882 0.372 . . . . 0.0 111.911 -178.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -53.12 -35.43 59.67 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.65 1.18 . . . . 0.0 111.874 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -66.1 -36.99 84.63 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.01 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -68.92 -42.39 76.85 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.5 mt -56.49 -49.91 75.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.81 87.97 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 123.594 0.758 . . . . 0.0 111.463 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.61 -47.28 82.06 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -76.97 -32.11 57.03 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.1 p -81.08 -22.72 38.97 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 121.827 -0.546 . . . . 0.0 110.71 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.59 -6.11 70.85 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.878 1.228 . . . . 0.0 111.44 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.8 mt -75.38 172.14 12.99 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.786 1.293 . . . . 0.0 108.362 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m -88.65 157.12 18.66 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 177.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.9 p -59.98 -42.86 95.11 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.203 -0.935 . . . . 0.0 110.994 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.51 -26.51 66.59 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 125.02 1.295 . . . . 0.0 112.582 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.4 m -70.25 -55.43 9.28 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.236 1.518 . . . . 0.0 110.413 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.2 mt -54.2 -49.78 60.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 C-N-CA 124.212 1.005 . . . . 0.0 110.502 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.5 p -61.98 -44.39 96.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.2 p -67.16 -38.09 84.88 Favored 'General case' 0 N--CA 1.414 -2.233 0 O-C-N 121.809 -0.557 . . . . 0.0 109.922 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -61.14 -52.42 64.95 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.951 0.9 . . . . 0.0 108.889 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.0 mt -55.32 -32.74 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.865 0.866 . . . . 0.0 112.082 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -102.55 20.53 16.94 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 61.41 6.23 1.38 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.644 1.978 . . . . 0.0 112.776 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -74.18 -29.33 61.71 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 120.411 -1.431 . . . . 0.0 111.629 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -70.16 141.36 52.63 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -153.13 75.58 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.4 60.4 0.19 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 76.87 58.4 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 126.94 2.096 . . . . 0.0 108.609 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -58.11 -31.9 67.58 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.36 -41.51 97.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.811 2.045 . . . . 0.0 110.83 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -48.03 54.61 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 69.9 t -55.23 -47.51 77.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 123.755 0.822 . . . . 0.0 109.223 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 p -58.15 -42.16 85.33 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.444 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -64.17 -32.49 74.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 120.011 1.278 . . . . 0.0 111.171 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.1 m -72.9 -40.61 65.4 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.08 -1.013 . . . . 0.0 108.658 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.12 -38.59 88.56 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.198 0.999 . . . . 0.0 110.076 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.12 -52.24 52.84 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.682 1.993 . . . . 0.0 111.52 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -61.7 -43.62 98.5 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.129 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -61.56 -44.5 96.92 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 119.158 -0.449 . . . . 0.0 110.977 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.71 -39.93 80.22 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 118.752 0.705 . . . . 0.0 111.046 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -58.09 -44.34 87.56 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 118.268 -0.873 . . . . 0.0 109.984 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -70.17 -31.7 69.29 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.307 0.958 . . . . 0.0 110.93 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.59 -50.95 47.64 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -82.18 -14.07 56.18 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.199 0 CA-C-N 122.568 2.44 . . . . 0.0 112.374 -179.113 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.567 0 N-CA-C 108.582 -1.807 . . . . 0.0 108.582 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -64.64 168.29 13.55 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 121.899 1.733 . . . . 0.0 111.898 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptm -137.85 133.83 34.4 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 126.022 1.729 . . . . 0.0 108.817 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -72.39 161.89 30.22 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.76 1.224 . . . . 0.0 110.28 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 mt -49.1 -45.57 17.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 126.845 2.058 . . . . 0.0 111.172 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.5 t -58.29 -32.58 68.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.026 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -81.55 -35.48 30.22 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.394 0.997 . . . . 0.0 111.371 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.7 mt -53.98 -55.04 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.964 1.306 . . . . 0.0 108.621 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -58.95 -32.79 69.93 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 117.869 -1.063 . . . . 0.0 113.453 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.97 95.54 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 119.707 1.14 . . . . 0.0 110.641 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.62 -45.4 95.7 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.42 -37.09 77.16 Favored 'General case' 0 CA--C 1.517 -0.292 0 O-C-N 121.896 -0.767 . . . . 0.0 111.701 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -64.7 -46.92 80.31 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.0 m -56.31 -41.83 76.62 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.167 0.587 . . . . 0.0 110.149 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.46 -52.39 61.6 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 119.059 -0.496 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.67 -32.86 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 119.293 0.951 . . . . 0.0 111.865 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.03 -28.2 68.68 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.968 1.307 . . . . 0.0 111.974 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -103.35 15.88 27.97 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.763 1.225 . . . . 0.0 110.108 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 56.38 18.57 3.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.755 1.622 . . . . 0.0 112.569 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.29 -39.79 94.63 Favored 'General case' 0 C--N 1.335 -0.054 0 C-N-CA 125.862 1.665 . . . . 0.0 110.114 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 t -143.44 179.15 7.28 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.934 1.294 . . . . 0.0 108.904 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 m -139.53 152.5 46.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.691 1.596 . . . . 0.0 107.097 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -52.98 -41.45 64.6 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 123.641 0.776 . . . . 0.0 111.068 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -44.03 87.76 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.274 178.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -67.79 -51.52 47.86 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 117.736 -1.126 . . . . 0.0 110.611 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.9 mt -52.17 -47.87 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 119.922 1.237 . . . . 0.0 108.196 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.47 88.31 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 123.862 0.865 . . . . 0.0 112.423 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.17 -56.53 20.94 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.055 0.542 . . . . 0.0 109.966 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -60.17 -43.99 95.38 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.417 1.487 . . . . 0.0 112.51 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.0 p -79.48 -19.89 48.66 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.892 0.769 . . . . 0.0 112.863 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.04 -1.6 88.4 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.837 1.208 . . . . 0.0 110.226 -177.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.5 mt -82.57 167.18 18.59 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 119.064 1.432 . . . . 0.0 110.139 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 t -78.93 147.13 33.14 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.5 p -60.44 -47.28 86.79 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.71 -33.94 60.2 Favored Glycine 0 C--N 1.341 0.828 0 C-N-CA 124.233 0.921 . . . . 0.0 112.224 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.7 m -66.35 -55.77 14.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -54.88 -51.04 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 C-N-CA 124.138 0.975 . . . . 0.0 111.487 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 p -61.11 -38.18 85.39 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 t -73.63 -39.59 64.41 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -56.79 -50.03 73.55 Favored 'General case' 0 CA--C 1.527 0.073 0 C-N-CA 126.813 2.045 . . . . 0.0 109.157 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.9 mt -58.09 -41.96 81.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 123.204 0.602 . . . . 0.0 110.293 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -79.69 0.12 31.72 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.733 0.813 . . . . 0.0 112.991 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . 0.257 1.8 t70 56.16 45.21 23.79 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 127.711 2.404 . . . . 0.0 109.367 -177.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -116.04 -10.41 11.57 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 126.161 1.784 . . . . 0.0 109.767 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -80.68 120.7 24.94 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 100.268 -3.975 . . . . 0.0 100.268 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -124.7 104.93 8.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.04 -123.18 1.15 Allowed Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -78.31 62.9 3.09 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.137 0.975 . . . . 0.0 109.362 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -66.45 -32.92 74.59 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.522 1.529 . . . . 0.0 111.746 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.98 -47.86 81.32 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.59 0.756 . . . . 0.0 110.397 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -55.51 -41.83 73.63 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 121.638 -0.663 . . . . 0.0 109.414 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.9 t -66.06 -52.48 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-O 118.081 -0.961 . . . . 0.0 108.914 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.6 p -56.3 -54.08 49.61 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 119.742 1.155 . . . . 0.0 111.512 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -56.71 -40.53 75.83 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.696 0.798 . . . . 0.0 110.555 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.5 m -68.02 -38.94 83.15 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.402 -0.811 . . . . 0.0 109.887 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.99 -25.62 61.91 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 117.684 -1.151 . . . . 0.0 111.078 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -66.76 -53.29 34.7 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 120.011 1.278 . . . . 0.0 108.404 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -57.9 -29.55 65.18 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 124.608 1.163 . . . . 0.0 111.745 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -78.53 -38.96 39.3 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.448 0.699 . . . . 0.0 109.402 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -44.21 81.18 Favored 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -178.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -54.16 -50.44 66.98 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 123.627 0.579 . . . . 0.0 111.639 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -66.8 -30.69 70.96 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 123.56 0.744 . . . . 0.0 110.73 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -62.45 1.85 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -69.79 -29.47 66.79 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 118.966 -1.094 . . . . 0.0 111.045 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 C-N-CA 129.266 3.026 . . . . 0.0 110.196 -178.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 . . . . . 0 C--O 1.234 0.271 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 mt -58.77 -34.01 50.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 O-C-N 121.585 -0.697 . . . . 0.0 109.57 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.9 m -59.38 -37.91 79.15 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.596 1.158 . . . . 0.0 110.71 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -69.34 -40.91 77.27 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 118.878 0.763 . . . . 0.0 109.598 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.33 -58.87 3.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -62.0 -33.15 73.81 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.651 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.16 -23.49 67.46 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-O 117.52 -1.229 . . . . 0.0 112.883 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.5 -44.53 5.82 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.5 mt -56.86 -38.98 73.46 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 121.464 -1.021 . . . . 0.0 112.372 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -59.73 -44.08 93.92 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 119.042 -0.504 . . . . 0.0 109.793 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -58.98 -43.44 91.41 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.418 1.087 . . . . 0.0 111.121 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.7 -50.94 64.98 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 119.137 -0.458 . . . . 0.0 111.066 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.5 m -67.75 -33.26 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 119.819 -0.752 . . . . 0.0 112.023 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.58 -34.55 71.22 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 124.77 1.228 . . . . 0.0 110.888 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -109.21 19.7 19.14 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.898 0.879 . . . . 0.0 112.689 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 59.65 17.79 6.55 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.921 1.688 . . . . 0.0 114.891 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.25 -20.9 65.73 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.173 1.789 . . . . 0.0 111.112 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 t -158.7 175.96 12.97 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.934 1.294 . . . . 0.0 108.011 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.2 p -137.19 161.75 35.32 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.086 1.354 . . . . 0.0 108.786 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -59.83 -43.24 94.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -61.51 -48.21 82.07 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.202 1.001 . . . . 0.0 112.305 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -65.88 -43.52 88.07 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 117.313 -1.327 . . . . 0.0 109.925 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.0 mt -60.05 -47.04 93.4 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.7 87.07 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 123.402 0.681 . . . . 0.0 111.105 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.0 tp -65.83 -49.03 69.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 119.218 -0.42 . . . . 0.0 110.868 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -67.74 -32.58 73.3 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.6 p -86.93 -18.41 30.86 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 121.837 -0.539 . . . . 0.0 112.202 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.78 13.11 82.56 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.2 mt -96.18 177.3 5.77 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.748 1.619 . . . . 0.0 107.515 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m -92.85 150.85 20.34 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 p -56.59 -46.5 80.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.112 0.965 . . . . 0.0 111.231 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.04 -35.76 78.15 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 118.938 -0.924 . . . . 0.0 112.863 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.0 m -61.73 -51.72 67.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.177 0.991 . . . . 0.0 110.359 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.0 -51.87 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 C-N-CA 124.063 0.945 . . . . 0.0 109.718 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 p -59.45 -45.59 91.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.476 -0.297 . . . . 0.0 111.225 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.14 -35.91 80.74 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.717 0.689 . . . . 0.0 112.133 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -64.18 -49.08 73.46 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.979 1.312 . . . . 0.0 107.476 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.72 -45.97 97.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -65.72 -6.45 11.61 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.594 1.157 . . . . 0.0 111.753 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 t0 53.85 44.69 29.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.25 1.42 . . . . 0.0 107.718 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -131.38 -6.12 3.77 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 127.211 2.204 . . . . 0.0 112.538 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -67.21 134.97 52.7 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -114.17 114.22 25.73 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.07 -157.06 27.36 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 108.527 -1.829 . . . . 0.0 108.527 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -79.51 83.61 5.48 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -60.42 -31.84 70.78 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 122.647 0.379 . . . . 0.0 110.206 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -64.22 -34.99 79.36 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.942 0.497 . . . . 0.0 110.286 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -62.16 -47.88 82.57 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 120.78 -1.2 . . . . 0.0 107.974 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.74 -46.38 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 125.04 1.336 . . . . 0.0 110.157 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 99.8 p -55.63 -51.33 67.57 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 119.272 0.942 . . . . 0.0 110.091 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -58.42 -36.58 73.82 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 118.426 -0.797 . . . . 0.0 113.079 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 m -69.27 -45.58 69.35 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.35 -30.31 71.47 Favored 'General case' 0 C--O 1.227 -0.095 0 O-C-N 120.764 -1.21 . . . . 0.0 112.464 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -60.67 -48.75 80.4 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 118.625 0.648 . . . . 0.0 110.103 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -59.56 -38.98 82.55 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 122.743 0.417 . . . . 0.0 110.552 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -65.25 -49.85 68.02 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.16 -36.0 78.61 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.321 -0.862 . . . . 0.0 111.366 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -59.82 -50.28 74.42 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.202 1.001 . . . . 0.0 109.622 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -69.03 -31.67 70.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.493 0.588 . . . . 0.0 111.514 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -62.71 1.31 Allowed 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -63.43 -17.05 62.27 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 179.01 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 . . . . . 0 N--CA 1.463 0.198 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.0 mt -58.95 -40.4 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.6 t -57.36 -43.12 83.26 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.468 1.507 . . . . 0.0 108.187 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -70.55 -46.23 63.95 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 119.022 0.828 . . . . 0.0 110.12 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.99 -56.36 9.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 124.609 1.164 . . . . 0.0 108.345 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.413 ' HB2' ' HA ' ' A' ' 39' ' ' ILE . 38.2 ptt85 -67.15 -30.83 70.92 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.08 -40.12 78.64 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 118.754 0.706 . . . . 0.0 110.571 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.2 -43.88 93.38 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 108.085 -2.006 . . . . 0.0 108.085 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.412 HD11 HD13 ' A' ' 54' ' ' LEU . 29.3 mt -58.2 -41.01 83.03 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 117.945 -1.026 . . . . 0.0 111.407 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -58.81 -47.83 83.42 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.4 m -53.76 -54.62 35.58 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.539 0.524 . . . . 0.0 110.16 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.22 -39.18 81.9 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.686 0.675 . . . . 0.0 112.14 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -77.91 -37.66 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 119.934 -1.729 . . . . 0.0 112.415 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -69.49 -35.9 75.99 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.968 1.707 . . . . 0.0 110.086 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -81.5 -0.76 43.35 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.919 0.887 . . . . 0.0 110.521 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 69.67 12.19 8.03 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 128.672 2.789 . . . . 0.0 112.346 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -56.58 -37.7 70.96 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 126.182 1.793 . . . . 0.0 111.293 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 t -151.67 -177.18 5.95 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.821 0.848 . . . . 0.0 109.821 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.6 m -130.49 156.2 45.18 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.043 1.737 . . . . 0.0 106.609 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -52.66 -36.96 57.86 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.673 -1.267 . . . . 0.0 114.174 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -60.64 -39.76 89.48 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 118.849 -0.596 . . . . 0.0 112.061 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -67.04 -43.95 81.45 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 123.821 0.701 . . . . 0.0 110.221 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mt -61.81 -49.74 83.03 Favored 'Isoleucine or valine' 0 C--N 1.339 0.121 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.45 -49.66 73.96 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 123.548 0.739 . . . . 0.0 111.719 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.88 -44.79 82.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.026 1.331 . . . . 0.0 112.376 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -78.47 -41.31 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 p -73.33 -28.33 62.01 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 123.373 0.669 . . . . 0.0 112.145 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.61 12.73 60.58 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.419 -1.073 . . . . 0.0 110.419 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.8 mt -97.85 -177.68 3.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.898 1.349 . . . . 0.0 109.174 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.3 t -99.83 145.76 27.38 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 p -56.37 -51.7 67.34 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.529 1.132 . . . . 0.0 110.804 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.29 -43.55 93.65 Favored Glycine 0 C--N 1.338 0.692 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 49.5 m -59.16 -53.01 63.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 117.655 -1.164 . . . . 0.0 110.511 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.1 mt -56.08 -46.94 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 120.09 1.314 . . . . 0.0 109.378 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -44.09 82.7 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.835 -0.541 . . . . 0.0 110.881 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -36.58 77.44 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 123.995 0.918 . . . . 0.0 110.216 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -64.14 -46.84 82.3 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.535 1.134 . . . . 0.0 108.142 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.413 ' HA ' ' HB2' ' A' ' 7' ' ' ARG . 85.5 mt -58.83 -39.54 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 O-C-N 121.837 -0.539 . . . . 0.0 110.023 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -79.25 -3.43 45.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.7 t70 56.9 41.48 27.81 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.982 1.372 . . . . 0.0 108.58 -177.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -125.52 -6.21 6.99 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 125.952 1.701 . . . . 0.0 110.735 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -63.98 142.84 58.26 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 120.324 1.42 . . . . 0.0 108.092 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -117.87 92.55 3.86 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 104.503 -2.406 . . . . 0.0 104.503 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.27 -161.47 26.34 Favored Glycine 0 N--CA 1.435 -1.382 0 N-CA-C 107.326 -2.31 . . . . 0.0 107.326 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -88.0 85.99 7.06 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 102.743 -3.058 . . . . 0.0 102.743 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -56.22 -31.21 63.3 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.128 0.971 . . . . 0.0 109.163 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -60.91 -35.02 75.59 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.5 1.92 . . . . 0.0 110.075 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 tpp85 -68.74 -48.63 63.27 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 120.347 -1.471 . . . . 0.0 107.099 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.8 t -56.65 -46.59 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.083 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 p -59.87 -44.61 94.07 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.399 0.999 . . . . 0.0 110.058 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -60.69 -38.77 86.09 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.66 0.664 . . . . 0.0 111.328 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 m -69.83 -37.19 76.11 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.55 0.614 . . . . 0.0 109.9 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.412 HD13 HD11 ' A' ' 10' ' ' LEU . 74.6 mt -72.79 -28.62 62.7 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 117.24 -1.362 . . . . 0.0 110.287 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -58.32 -50.78 72.43 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.467 1.031 . . . . 0.0 109.405 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -57.35 -48.66 78.42 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 118.561 0.619 . . . . 0.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -59.94 -47.03 87.44 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.141 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.77 -35.15 78.88 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 124.606 1.163 . . . . 0.0 111.458 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.97 -50.27 71.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -66.0 -35.92 81.87 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 118.884 0.766 . . . . 0.0 109.666 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -53.34 38.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -60.62 -22.65 64.01 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 117.598 -1.191 . . . . 0.0 114.18 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.344 0 CA-C-N 120.004 1.275 . . . . 0.0 110.238 179.631 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.0 t30 . . . . . 0 CA--C 1.535 0.381 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 mt -47.42 -53.9 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.558 1.143 . . . . 0.0 112.562 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -55.79 -35.28 66.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.379 1.072 . . . . 0.0 113.034 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.23 -47.38 16.04 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.889 1.676 . . . . 0.0 108.878 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.5 mt -53.52 -54.23 19.99 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 C-N-CA 124.773 1.229 . . . . 0.0 108.17 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 -63.42 -31.44 72.6 Favored 'General case' 0 C--N 1.339 0.114 0 CA-C-O 117.801 -1.095 . . . . 0.0 113.331 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.62 -46.59 85.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 119.221 0.918 . . . . 0.0 111.435 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.72 -41.01 93.62 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.99 -35.49 76.95 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.364 -1.08 . . . . 0.0 112.447 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -66.13 -46.66 76.76 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -54.03 -41.26 67.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.115 0.885 . . . . 0.0 110.244 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.426 ' HB3' HG22 ' A' ' 19' ' ' THR . 77.3 mt -65.05 -51.98 58.41 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.803 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -69.26 -29.55 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 119.78 1.173 . . . . 0.0 112.536 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.78 -23.6 64.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.676 1.591 . . . . 0.0 112.138 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -112.93 12.41 19.35 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.229 1.412 . . . . 0.0 110.808 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 60.38 17.39 7.12 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.612 2.365 . . . . 0.0 114.223 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.69 -22.99 67.19 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.786 2.034 . . . . 0.0 109.897 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.426 HG22 ' HB3' ' A' ' 13' ' ' LEU . 2.4 t -157.87 177.85 10.89 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.937 2.095 . . . . 0.0 108.345 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.0 m -141.06 151.74 44.27 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.894 1.678 . . . . 0.0 108.261 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -53.07 -40.18 63.85 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.828 1.195 . . . . 0.0 111.663 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -61.37 -45.89 92.51 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.414 1.086 . . . . 0.0 110.389 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -61.41 -52.05 66.22 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.981 1.313 . . . . 0.0 109.107 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.4 mt -55.84 -48.41 78.3 Favored 'Isoleucine or valine' 0 C--N 1.343 0.296 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.28 92.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.552 0.741 . . . . 0.0 112.039 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.1 -51.34 66.97 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.383 0.538 . . . . 0.0 110.195 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.05 -48.05 81.98 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -75.17 -19.7 59.71 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.612 1.165 . . . . 0.0 113.388 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.86 4.56 62.52 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.9 mt -82.72 167.29 18.34 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.8 m -84.28 150.7 25.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.239 -0.913 . . . . 0.0 108.921 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.1 p -57.86 -34.11 69.39 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 124.269 1.028 . . . . 0.0 110.409 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.65 -37.91 61.55 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 118.49 -1.172 . . . . 0.0 110.792 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.421 HG23 ' CE1' ' A' ' 43' ' ' TYR . 55.4 m -59.75 -52.84 63.76 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 118.872 1.336 . . . . 0.0 110.519 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.4 mt -54.68 -50.92 56.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 123.03 0.532 . . . . 0.0 110.301 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.0 p -63.99 -41.98 97.35 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.974 -0.536 . . . . 0.0 111.902 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -61.34 -46.75 88.94 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.736 1.614 . . . . 0.0 109.995 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -58.48 -48.36 81.03 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.172 1.389 . . . . 0.0 110.095 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mt -65.5 -36.05 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 119.305 -0.378 . . . . 0.0 110.353 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -83.08 9.01 11.28 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.164 1.386 . . . . 0.0 113.262 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 56.12 34.47 23.92 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.553 1.541 . . . . 0.0 111.571 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -116.28 2.51 13.26 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 120.557 -1.34 . . . . 0.0 114.249 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.421 ' CE1' HG23 ' A' ' 34' ' ' THR . 43.9 t80 -73.87 87.1 1.77 Allowed 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -81.4 58.89 3.8 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 123.783 0.833 . . . . 0.0 110.161 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.86 -149.48 5.05 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 125.431 1.491 . . . . 0.0 110.705 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -82.47 84.65 7.13 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -57.6 -36.78 72.21 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 125.079 1.351 . . . . 0.0 108.653 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -55.12 -36.65 65.95 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.305 2.242 . . . . 0.0 112.667 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -71.81 -42.42 67.06 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 121.052 -1.03 . . . . 0.0 109.141 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.26 -52.3 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-O 118.3 -0.857 . . . . 0.0 109.404 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 p -52.25 -51.62 57.29 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 119.593 1.088 . . . . 0.0 111.526 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -60.91 -31.93 71.42 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.5 m -73.37 -44.56 58.38 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.7 mt -60.78 -34.63 74.77 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.05 -1.031 . . . . 0.0 110.028 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -61.44 -48.19 82.27 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.544 1.137 . . . . 0.0 110.416 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -57.16 -42.95 82.04 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.862 0.755 . . . . 0.0 110.705 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -67.02 -46.79 73.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 119.031 -0.509 . . . . 0.0 109.732 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.6 mt -59.56 -36.48 76.29 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.065 0.946 . . . . 0.0 111.883 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -57.46 -49.95 74.6 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.274 1.029 . . . . 0.0 109.903 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -77.41 -32.27 54.59 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.575 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -59.32 5.23 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -65.51 -12.89 56.95 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-N 120.174 1.352 . . . . 0.0 110.352 -179.094 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.5 m120 . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.0 mt -39.95 -57.13 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 125.841 1.656 . . . . 0.0 114.122 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.3 t -58.37 -49.39 77.4 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.721 -0.657 . . . . 0.0 111.509 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.58 -39.86 85.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 119.18 0.9 . . . . 0.0 110.917 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -63.27 -62.71 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.413 ' HA ' HD12 ' A' ' 10' ' ' LEU . 51.9 ptt85 -57.51 -30.1 64.87 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.764 0.711 . . . . 0.0 112.77 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.07 -26.51 65.87 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 117.949 -1.024 . . . . 0.0 112.106 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.16 -39.07 16.8 Favored Glycine 0 C--N 1.342 0.872 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 7' ' ' ARG . 29.7 mt -55.71 -44.76 77.76 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 124.607 1.163 . . . . 0.0 111.698 -179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -63.17 -38.05 89.65 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 123.438 0.461 . . . . 0.0 110.83 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 m -67.69 -37.77 82.75 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.429 ' HB3' HG22 ' A' ' 19' ' ' THR . 79.7 mt -63.27 -49.34 74.46 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.151 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.0 m -65.65 -35.94 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 119.391 0.996 . . . . 0.0 110.194 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -64.45 -24.7 67.71 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.288 1.035 . . . . 0.0 111.528 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -105.8 8.37 32.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.598 1.559 . . . . 0.0 110.469 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 60.58 12.82 3.82 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.491 2.316 . . . . 0.0 114.04 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.58 -20.33 63.18 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.642 1.577 . . . . 0.0 110.864 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.429 HG22 ' HB3' ' A' ' 13' ' ' LEU . 8.2 t -153.34 -177.62 6.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.193 1.797 . . . . 0.0 107.597 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.2 m -146.31 143.92 29.46 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -52.49 -41.68 63.61 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.91 1.686 . . . . 0.0 112.562 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.03 -43.98 97.68 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.458 0.703 . . . . 0.0 110.592 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -62.86 -47.13 84.67 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.647 1.179 . . . . 0.0 109.26 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 80.6 mt -58.1 -49.96 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.28 83.38 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 122.13 -0.356 . . . . 0.0 110.876 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.45 -53.43 54.93 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 122.848 0.459 . . . . 0.0 110.237 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.67 -47.71 74.56 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.661 0.784 . . . . 0.0 113.089 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.6 p -72.46 -21.45 61.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 118.95 0.796 . . . . 0.0 113.147 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.18 -2.12 87.55 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 mt -78.74 169.41 18.28 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 119.258 1.529 . . . . 0.0 109.413 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.1 t -83.75 147.14 27.79 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -60.94 -31.2 70.75 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.69 -29.71 63.01 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-O 118.81 -0.994 . . . . 0.0 111.706 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.6 m -70.08 -50.95 35.77 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.557 1.178 . . . . 0.0 111.645 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.7 mt -53.93 -51.49 44.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 123.244 0.618 . . . . 0.0 111.314 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.9 p -60.08 -43.04 95.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 118.043 0.383 . . . . 0.0 110.574 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -42.73 98.24 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.531 0.733 . . . . 0.0 110.143 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -62.69 -47.7 82.5 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.402 0.681 . . . . 0.0 109.4 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.05 -45.25 99.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 123.664 0.785 . . . . 0.0 109.375 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.93 -17.3 64.24 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.202 1.401 . . . . 0.0 111.48 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 t70 66.38 56.9 0.75 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.969 2.108 . . . . 0.0 105.606 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.433 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 0.5 OUTLIER -136.39 -1.14 2.36 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 128.095 2.558 . . . . 0.0 112.952 -178.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -77.76 106.19 9.42 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -82.25 -0.01 43.37 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.096 0.958 . . . . 0.0 112.029 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.75 -158.34 21.63 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -75.65 92.24 2.95 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -56.22 -39.58 72.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.486 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -67.68 -44.0 78.81 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 118.847 0.749 . . . . 0.0 109.935 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -56.29 -43.28 78.7 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.18 -0.95 . . . . 0.0 109.023 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.8 t -69.59 -48.88 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 118.125 -0.941 . . . . 0.0 109.052 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.3 p -54.01 -47.7 71.23 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.224 0.92 . . . . 0.0 110.572 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -61.38 -33.01 72.94 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.313 1.045 . . . . 0.0 111.627 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.1 m -73.3 -41.66 63.31 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.1 mt -67.9 -37.17 81.39 Favored 'General case' 0 C--O 1.227 -0.11 0 C-N-CA 123.674 0.789 . . . . 0.0 109.348 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -56.8 -58.4 8.27 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 126.523 1.929 . . . . 0.0 109.24 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.1 mtt-85 -56.1 -36.42 68.14 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -67.63 -48.77 65.79 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -36.75 83.61 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.703 0.801 . . . . 0.0 111.037 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -56.93 -49.56 75.25 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.5 1.52 . . . . 0.0 108.831 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -72.74 -31.73 65.17 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.088 0.858 . . . . 0.0 111.012 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -51.51 68.89 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.327 0.512 . . . . 0.0 109.927 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -77.88 5.12 10.29 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.789 0 CA-C-N 120.943 1.701 . . . . 0.0 109.852 -179.331 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.5 mt -54.76 -32.68 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.506 0.722 . . . . 0.0 111.442 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -60.68 -31.38 70.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -81.37 -36.01 30.14 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 118.528 0.604 . . . . 0.0 110.308 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.54 -49.12 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -71.51 -24.02 61.89 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -51.08 67.78 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 119.242 0.928 . . . . 0.0 111.913 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.03 -42.31 54.26 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-O 122.026 0.792 . . . . 0.0 112.859 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.1 mt -59.23 -34.98 72.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 118.536 -0.745 . . . . 0.0 112.573 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -65.72 -45.96 80.73 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -58.99 -41.41 87.56 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 124.175 0.99 . . . . 0.0 110.481 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.32 -44.49 79.02 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.878 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.54 -33.21 55.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 118.872 -1.131 . . . . 0.0 110.875 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.12 -34.24 73.24 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.105 1.362 . . . . 0.0 110.801 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -97.28 6.59 48.12 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.62 1.168 . . . . 0.0 111.684 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 59.72 18.6 7.37 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.256 1.822 . . . . 0.0 112.355 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.6 -23.42 67.26 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 126.124 1.77 . . . . 0.0 110.123 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -155.68 172.48 18.23 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 124.258 1.023 . . . . 0.0 109.569 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.0 p -139.38 164.06 30.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.551 1.14 . . . . 0.0 109.725 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -58.4 -38.28 77.02 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.166 178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -72.01 -47.1 54.37 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.284 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -60.17 -48.04 83.39 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.659 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.9 mt -57.34 -50.05 78.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.39 89.97 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.151 0.98 . . . . 0.0 112.299 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.2 tp -67.41 -35.5 79.4 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 123.959 0.904 . . . . 0.0 111.688 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.47 -49.29 13.7 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 122.754 0.422 . . . . 0.0 110.841 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.6 p -74.06 -14.64 61.03 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.58 1.77 46.67 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.9 mt -82.25 164.44 21.18 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.2 m -82.85 148.74 27.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -56.95 -34.08 67.67 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.22 -37.01 80.67 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 118.791 0.723 . . . . 0.0 111.509 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.5 m -62.64 -47.28 84.4 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 118.291 -0.862 . . . . 0.0 111.866 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.6 mt -56.43 -53.87 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 119.94 1.246 . . . . 0.0 111.262 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 p -62.83 -39.67 95.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 119.293 -0.384 . . . . 0.0 111.689 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -63.68 -45.34 90.51 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -59.4 -49.25 78.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.096 1.358 . . . . 0.0 109.934 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.6 mt -60.68 -42.52 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 118.586 0.63 . . . . 0.0 109.897 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -75.42 2.05 12.41 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 117.214 -1.374 . . . . 0.0 113.14 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 57.88 44.86 19.29 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 120.659 1.572 . . . . 0.0 108.025 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.01 -6.26 7.86 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 127.349 2.26 . . . . 0.0 113.925 -178.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -80.82 157.63 25.66 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 120.725 1.602 . . . . 0.0 109.882 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -152.09 103.71 2.91 Favored 'General case' 0 CA--C 1.52 -0.192 0 O-C-N 120.982 -1.074 . . . . 0.0 108.761 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.01 107.69 0.99 Allowed Glycine 0 C--O 1.224 -0.507 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 55.98 39.33 30.54 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.034 0.917 . . . . 0.0 111.156 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -58.85 -34.6 71.76 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.108 -0.995 . . . . 0.0 110.008 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -67.2 -33.63 75.79 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.698 1.599 . . . . 0.0 110.013 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -65.31 -50.77 64.39 Favored 'General case' 0 C--N 1.341 0.198 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.26 -52.74 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.381 1.472 . . . . 0.0 110.706 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.4 p -53.83 -47.93 70.43 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.001 0.819 . . . . 0.0 110.272 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -64.24 -35.91 82.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.41 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.7 m -69.28 -36.8 77.43 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.0 mt -67.9 -32.39 72.83 Favored 'General case' 0 C--N 1.343 0.317 0 O-C-N 121.422 -0.799 . . . . 0.0 109.836 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -60.11 -49.48 77.46 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.319 0.648 . . . . 0.0 111.044 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.7 mtt85 -59.53 -38.09 80.1 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 122.234 -0.291 . . . . 0.0 110.929 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 50.4 t90 -69.36 -42.43 75.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 118.969 -0.539 . . . . 0.0 110.12 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -36.27 83.23 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.179 0.899 . . . . 0.0 109.625 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -59.42 -46.34 88.99 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 117.153 -1.404 . . . . 0.0 109.533 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -72.34 -31.83 65.98 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.79 1.177 . . . . 0.0 111.319 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -52.24 53.45 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -92.32 2.72 56.47 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.92 0 CA-C-N 121.759 2.072 . . . . 0.0 109.889 178.946 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.6 m120 . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 121.724 0.773 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 mt -51.99 -42.79 35.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 125.135 1.374 . . . . 0.0 111.803 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 p -65.86 -43.53 88.15 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.347 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.88 -43.08 85.84 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 123.922 0.889 . . . . 0.0 110.387 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.03 -56.66 15.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 124.903 1.281 . . . . 0.0 108.324 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -63.58 -35.29 80.0 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 119.324 -0.95 . . . . 0.0 111.079 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.84 -17.67 65.0 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.193 0.997 . . . . 0.0 112.175 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.7 -56.23 2.15 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.5 mt -52.53 -33.58 45.97 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.907 1.683 . . . . 0.0 113.473 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -50.99 -47.98 61.41 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -57.47 -48.58 78.8 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.33 1.452 . . . . 0.0 110.296 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.36 -38.05 68.31 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.179 1.392 . . . . 0.0 113.397 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.5 m -82.17 -24.97 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 118.889 -1.124 . . . . 0.0 112.313 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -74.1 -34.91 64.11 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -88.81 -0.02 56.95 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.708 1.603 . . . . 0.0 112.46 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 56.96 28.67 15.07 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.765 1.226 . . . . 0.0 112.326 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.33 -12.12 48.71 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.925 1.69 . . . . 0.0 110.56 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 t -173.86 -171.21 0.63 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 129.957 3.303 . . . . 0.0 105.828 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -137.11 162.06 34.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 127.113 2.165 . . . . 0.0 106.44 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -60.04 -37.15 78.94 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -67.72 -43.52 79.8 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.94 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -66.44 -42.45 87.66 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.768 0.713 . . . . 0.0 109.451 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.6 -47.22 91.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.226 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.57 83.86 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 119.007 0.821 . . . . 0.0 110.606 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.13 -54.28 46.49 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.709 0.803 . . . . 0.0 111.476 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -72.75 -41.79 64.73 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 124.591 1.157 . . . . 0.0 113.963 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.1 p -73.77 -31.03 63.11 Favored 'General case' 0 C--N 1.333 -0.141 0 O-C-N 121.466 -0.771 . . . . 0.0 111.534 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.04 -4.41 62.8 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.0 mt -76.87 -174.04 2.91 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.902 1.681 . . . . 0.0 109.655 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -105.08 149.89 25.46 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 m -59.55 -34.43 72.67 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.452 1.101 . . . . 0.0 109.634 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.18 -50.94 54.36 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.6 m -51.9 -55.58 19.3 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.712 2.005 . . . . 0.0 112.935 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.0 mt -54.06 -55.87 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 123.57 0.748 . . . . 0.0 112.763 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -64.06 -32.11 73.54 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.883 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t -70.31 -31.72 69.16 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.686 0.675 . . . . 0.0 109.455 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -66.94 -53.05 35.63 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.9 mt -62.16 -42.66 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 123.353 0.661 . . . . 0.0 111.355 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -72.78 -3.54 25.96 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.565 0.62 . . . . 0.0 110.849 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 53.93 52.41 12.97 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 126.979 2.111 . . . . 0.0 108.627 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -127.51 -15.5 5.04 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 126.55 1.94 . . . . 0.0 111.724 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -70.55 142.6 51.76 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -142.38 84.02 1.85 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.03 88.76 0.07 OUTLIER Glycine 0 C--N 1.33 0.2 0 O-C-N 121.188 -0.945 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 60.29 53.68 4.27 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.962 1.305 . . . . 0.0 110.201 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.78 -31.71 72.52 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 124.475 1.11 . . . . 0.0 110.854 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -65.1 -35.64 81.77 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.93 0.872 . . . . 0.0 109.945 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -67.54 -35.53 79.24 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.43 -51.71 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 117.816 -1.088 . . . . 0.0 108.064 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.0 p -54.59 -45.14 73.54 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-N 119.798 1.181 . . . . 0.0 111.021 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -60.45 -36.34 77.99 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.597 0.635 . . . . 0.0 111.476 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -70.5 -39.62 74.04 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.98 -38.38 88.4 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 118.545 -0.74 . . . . 0.0 109.353 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -53.92 51.42 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 124.184 0.994 . . . . 0.0 110.351 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.28 -32.75 62.64 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -78.2 -48.69 15.28 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.99 -36.25 78.95 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.322 1.049 . . . . 0.0 111.252 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -55.48 -44.22 76.29 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.023 1.329 . . . . 0.0 110.061 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -82.72 -31.57 28.42 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.269 -0.895 . . . . 0.0 111.528 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -62.66 1.32 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.1 0.56 . . . . 0.0 109.989 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -74.9 -29.96 61.14 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.171 1.389 . . . . 0.0 111.977 -179.633 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 . . . . . 0 N--CA 1.471 0.575 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 mt -53.08 -41.9 43.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 118.488 0.586 . . . . 0.0 109.961 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.9 p -56.52 -29.35 61.77 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.264 1.025 . . . . 0.0 113.374 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -81.65 -32.63 31.79 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 123.875 0.87 . . . . 0.0 111.723 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.6 mt -63.86 -60.84 2.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 124.167 0.987 . . . . 0.0 108.383 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.1 ptt85 -60.27 -34.63 74.0 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.32 -14.53 61.0 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 117.948 -1.025 . . . . 0.0 113.516 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.03 -48.83 3.01 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.4 mt -52.76 -34.62 53.85 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.68 1.192 . . . . 0.0 112.918 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -61.16 -44.21 97.66 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.729 0.412 . . . . 0.0 109.897 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -62.82 -39.37 94.08 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.879 1.272 . . . . 0.0 108.858 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -51.77 68.3 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.077 1.351 . . . . 0.0 110.32 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.89 -30.6 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 O-C-N 121.911 -0.493 . . . . 0.0 112.051 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.2 -36.36 79.68 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 121.357 -0.839 . . . . 0.0 110.787 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -97.21 8.81 43.79 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.199 1.4 . . . . 0.0 111.692 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 56.57 24.1 8.37 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.346 1.858 . . . . 0.0 112.372 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.96 -29.72 67.37 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 125.52 1.528 . . . . 0.0 110.184 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -163.29 -179.72 6.79 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.619 1.567 . . . . 0.0 106.866 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.2 m -138.4 159.55 41.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -52.44 -38.43 59.18 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.226 0.61 . . . . 0.0 111.177 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.04 -52.57 64.73 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 123.985 0.914 . . . . 0.0 110.42 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -64.81 -52.26 57.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 117.401 -1.285 . . . . 0.0 109.192 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.7 mt -51.27 -45.46 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 120.359 1.436 . . . . 0.0 109.478 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.23 -45.54 84.25 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.376 1.07 . . . . 0.0 111.617 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.84 -41.02 99.18 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.922 0.489 . . . . 0.0 110.211 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.05 -39.93 87.0 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.626 1.571 . . . . 0.0 111.992 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.9 p -93.86 -8.04 41.5 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.3 5.34 62.56 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.862 1.22 . . . . 0.0 111.043 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.9 mt -82.16 171.94 13.74 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.089 1.444 . . . . 0.0 108.677 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.97 145.57 27.06 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.7 p -61.12 -35.01 75.88 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.309 -0.869 . . . . 0.0 113.088 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.41 -21.18 79.21 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-N 119.14 0.882 . . . . 0.0 112.6 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.9 m -70.21 -53.83 15.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 118.107 0.953 . . . . 0.0 109.898 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.2 mt -54.29 -51.8 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 C-N-CA 124.166 0.986 . . . . 0.0 110.833 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.4 p -60.47 -39.29 87.09 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 111.527 0.195 . . . . 0.0 111.527 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 t -67.55 -43.83 79.77 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.61 0.364 . . . . 0.0 110.268 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.1 -48.44 76.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 126.126 1.77 . . . . 0.0 109.136 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.5 -32.91 52.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 124.582 1.153 . . . . 0.0 111.535 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -88.16 1.79 53.6 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.642 1.177 . . . . 0.0 112.129 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.94 35.32 16.32 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 128.489 2.716 . . . . 0.0 110.924 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -120.86 5.31 10.46 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.15 1.38 . . . . 0.0 114.072 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -70.16 98.76 1.39 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 120.458 1.481 . . . . 0.0 108.589 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -79.46 71.09 6.01 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.9 -165.17 18.33 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 125.414 1.483 . . . . 0.0 109.595 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -71.56 87.97 0.92 Allowed 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.205 1.402 . . . . 0.0 109.179 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -70.81 -31.35 68.07 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 117.031 -1.461 . . . . 0.0 111.319 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -59.33 -35.08 73.18 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 119.313 0.961 . . . . 0.0 110.318 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -74.09 -45.37 49.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 82.5 t -61.34 -49.94 82.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.062 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.7 p -54.32 -54.01 46.15 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.113 0.965 . . . . 0.0 108.523 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -56.18 -40.47 74.01 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 117.541 -1.219 . . . . 0.0 112.637 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.6 m -69.77 -38.36 76.71 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 120.144 1.338 . . . . 0.0 109.27 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.75 -32.03 72.36 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 117.651 -1.166 . . . . 0.0 109.836 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -61.01 -51.77 67.82 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.759 1.163 . . . . 0.0 109.589 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -56.82 -46.16 81.83 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -60.94 -47.28 87.17 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.647 0.379 . . . . 0.0 110.197 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.99 -35.97 82.44 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.029 1.331 . . . . 0.0 111.811 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -60.93 -40.49 93.4 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -78.38 -37.83 43.24 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 119.179 0.899 . . . . 0.0 110.147 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.44 -49.0 77.65 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 119.03 0.832 . . . . 0.0 110.685 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -75.58 0.26 18.03 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.203 0 CA-C-N 120.754 1.615 . . . . 0.0 109.932 -179.244 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' A' ' 6' ' ' ILE . 8.3 mt -52.7 -39.03 29.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 124.244 1.018 . . . . 0.0 109.423 178.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 t -60.52 -35.53 76.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.639 1.176 . . . . 0.0 110.881 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -72.58 -33.25 66.62 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 120.843 -1.16 . . . . 0.0 110.58 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 3' ' ' ILE . 57.9 mt -59.17 -54.83 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -59.93 -41.8 92.56 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.656 -0.418 . . . . 0.0 109.945 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.18 -13.83 51.18 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.863 1.265 . . . . 0.0 113.498 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.72 -52.78 1.76 Allowed Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 107.027 -2.429 . . . . 0.0 107.027 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.434 HD11 HD13 ' A' ' 54' ' ' LEU . 40.4 mt -52.94 -35.53 58.74 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.447 1.099 . . . . 0.0 112.143 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -57.11 -46.95 82.19 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.7 m -57.95 -45.13 87.13 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.047 0.939 . . . . 0.0 110.014 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.74 -45.59 93.71 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.887 0.875 . . . . 0.0 111.198 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.4 m -77.75 -34.24 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 119.684 1.129 . . . . 0.0 112.092 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.88 -32.46 74.18 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 121.078 -1.014 . . . . 0.0 112.356 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -99.45 14.83 28.44 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.735 0.698 . . . . 0.0 111.402 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 52.8 38.8 27.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.386 1.474 . . . . 0.0 110.434 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.95 -44.14 41.37 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -151.91 144.65 24.32 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.3 p -88.74 165.42 14.73 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.91 0.386 . . . . 0.0 110.202 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -57.12 -37.48 72.03 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -63.0 -53.28 56.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.3 1.04 . . . . 0.0 109.562 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -59.64 -45.2 92.69 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.543 -0.741 . . . . 0.0 111.343 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.59 -45.65 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.29 97.47 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 121.369 -0.832 . . . . 0.0 111.309 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -59.15 -43.95 92.07 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 124.662 1.185 . . . . 0.0 110.054 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -76.75 -44.61 32.42 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.406 1.083 . . . . 0.0 112.88 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.7 p -78.24 -12.88 60.03 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.81 2.39 81.32 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 121.203 -0.935 . . . . 0.0 111.325 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.7 mt -85.24 -175.3 5.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.6 t -104.78 153.11 21.74 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.6 p -58.79 -42.11 88.3 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.43 -53.01 49.74 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-O 117.95 -1.472 . . . . 0.0 109.459 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.6 m -45.89 -55.34 6.83 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 124.963 1.305 . . . . 0.0 110.601 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.2 mt -55.65 -57.18 8.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 C-N-CA 124.131 0.972 . . . . 0.0 110.959 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 p -56.97 -37.48 71.66 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -44.0 68.07 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.077 1.351 . . . . 0.0 110.669 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.62 -38.46 81.38 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 126.311 1.844 . . . . 0.0 109.953 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.77 -52.02 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 C-N-CA 124.853 1.261 . . . . 0.0 108.485 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -71.85 13.51 0.28 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 61.52 15.46 6.74 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.377 -1.452 . . . . 0.0 112.936 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -93.73 -23.52 18.18 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 120.5 -1.375 . . . . 0.0 113.034 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.4 ' CE2' HG21 ' A' ' 50' ' ' VAL . 34.5 t80 -64.92 145.71 55.94 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 120.095 1.316 . . . . 0.0 109.124 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -150.59 146.06 26.3 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.531 1.132 . . . . 0.0 108.058 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.52 -97.37 0.29 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 107.261 -2.336 . . . . 0.0 107.261 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -125.06 66.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.938 1.695 . . . . 0.0 109.857 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -54.34 -32.11 55.98 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 114.36 -1.291 . . . . 0.0 110.83 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -66.11 -34.53 78.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.312 1.845 . . . . 0.0 110.624 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -75.23 -39.89 59.53 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 119.418 -2.052 . . . . 0.0 108.325 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.4 HG21 ' CE2' ' A' ' 43' ' ' TYR . 79.4 t -64.3 -47.78 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 81.5 p -57.71 -50.1 74.32 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -58.39 -39.25 79.15 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.42 0.688 . . . . 0.0 111.622 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.1 m -65.2 -38.79 91.56 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.434 HD13 HD11 ' A' ' 10' ' ' LEU . 84.2 mt -69.03 -44.04 73.51 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.31 -0.853 . . . . 0.0 108.821 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.36 -47.38 66.15 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 124.098 0.959 . . . . 0.0 111.502 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -61.27 -42.97 99.53 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 118.76 0.709 . . . . 0.0 111.584 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -63.47 -49.73 72.47 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.808 0.843 . . . . 0.0 109.303 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -36.44 75.2 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 126.296 1.839 . . . . 0.0 112.303 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.58 -43.9 95.65 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.514 1.126 . . . . 0.0 110.558 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -31.13 57.28 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.72 1.145 . . . . 0.0 109.466 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -58.12 9.18 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 118.726 -0.654 . . . . 0.0 110.107 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -82.59 9.93 8.42 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.144 0 O-C-N 120.358 -1.464 . . . . 0.0 107.398 179.353 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.6 mm -52.54 -44.89 46.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 124.071 0.948 . . . . 0.0 110.373 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.1 t -60.99 -45.09 96.19 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 119.144 -0.455 . . . . 0.0 110.327 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.33 -42.18 98.94 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.628 0.771 . . . . 0.0 110.671 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.83 -57.13 10.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 C-N-CA 125.526 1.53 . . . . 0.0 107.055 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -67.61 -31.28 71.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.272 0.942 . . . . 0.0 112.29 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.84 -40.28 75.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 119.028 0.831 . . . . 0.0 110.973 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.17 -46.65 78.27 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.2 mt -56.96 -46.93 81.79 Favored 'General case' 0 CA--C 1.516 -0.327 0 O-C-N 121.905 -0.762 . . . . 0.0 112.313 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.23 -40.6 94.64 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.765 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -65.23 -42.77 93.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 119.161 0.892 . . . . 0.0 109.644 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.499 ' HB3' HG22 ' A' ' 19' ' ' THR . 90.3 mt -60.91 -46.85 89.03 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.702 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -75.23 -30.68 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 120.603 1.547 . . . . 0.0 112.176 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -67.77 -23.01 65.17 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.746 0.818 . . . . 0.0 111.852 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -108.8 11.38 26.29 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 125.803 1.641 . . . . 0.0 110.91 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 60.66 14.88 5.31 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.13 1.772 . . . . 0.0 113.503 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.9 -23.48 67.24 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.026 1.33 . . . . 0.0 111.686 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 13' ' ' LEU . 4.8 t -153.03 -175.62 5.41 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.947 2.099 . . . . 0.0 108.471 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.4 m -147.84 152.45 37.66 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -52.61 -41.81 64.03 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.336 0.971 . . . . 0.0 112.235 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -64.57 -37.8 88.79 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-O 118.988 -0.53 . . . . 0.0 110.931 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -67.13 -48.32 68.41 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.3 mt -55.49 -46.58 78.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.6 84.85 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.126 0.876 . . . . 0.0 111.918 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.76 -46.97 87.54 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.653 0.781 . . . . 0.0 112.194 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -74.8 -44.41 49.59 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.616 0.766 . . . . 0.0 112.083 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.8 p -73.0 -31.7 64.66 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.229 -0.919 . . . . 0.0 112.065 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.1 0.63 80.45 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 125.829 1.68 . . . . 0.0 110.666 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.4 mt -88.71 167.82 13.01 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.729 1.265 . . . . 0.0 108.551 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -76.19 154.31 35.44 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.4 p -61.04 -36.36 79.35 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.85 -46.32 93.85 Favored Glycine 0 C--N 1.339 0.744 0 CA-C-O 118.316 -1.269 . . . . 0.0 110.759 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.7 m -52.2 -52.2 53.61 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.323 1.049 . . . . 0.0 110.276 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.7 mt -54.2 -56.93 7.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 124.014 0.926 . . . . 0.0 110.12 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 p -57.67 -39.9 78.16 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -46.35 80.31 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 122.999 0.519 . . . . 0.0 111.494 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.8 -44.66 86.45 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.927 1.291 . . . . 0.0 109.958 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.7 mt -65.09 -45.7 93.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -75.55 0.62 16.71 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t70 60.36 30.28 19.68 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.787 1.176 . . . . 0.0 109.768 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -117.68 4.75 12.31 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.284 1.834 . . . . 0.0 113.353 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -63.06 155.54 27.45 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.251 0.932 . . . . 0.0 110.258 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -56.06 -50.91 69.65 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.381 1.073 . . . . 0.0 113.204 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.88 -177.75 32.8 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 61.04 38.88 16.93 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 123.154 1.454 . . . . 0.0 108.565 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -53.47 -31.2 44.66 Favored 'General case' 0 C--N 1.339 0.119 0 C-N-CA 127.304 2.241 . . . . 0.0 112.418 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -59.99 -34.14 72.91 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -68.97 -34.51 75.43 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.376 -1.452 . . . . 0.0 109.083 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.16 -52.97 25.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 124.353 1.061 . . . . 0.0 109.637 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.3 p -51.8 -50.41 60.82 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.475 1.11 . . . . 0.0 111.544 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -61.3 -29.55 69.94 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.725 0.81 . . . . 0.0 112.351 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.5 m -79.72 -37.91 34.54 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.6 mt -73.23 -31.25 64.03 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.973 1.309 . . . . 0.0 110.539 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -58.92 6.53 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.795 1.238 . . . . 0.0 108.46 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -55.78 -39.99 72.04 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 118.988 -0.529 . . . . 0.0 111.862 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -62.85 -48.28 79.74 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 123.926 0.766 . . . . 0.0 110.685 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -39.76 78.35 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.22 -41.68 89.22 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.431 0.457 . . . . 0.0 109.786 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -31.41 61.76 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-O 119.138 -0.458 . . . . 0.0 110.193 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -48.74 80.49 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -74.22 8.54 2.1 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.49 0.716 . . . . 0.0 112.708 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 C-N-CA 126.028 1.731 . . . . 0.0 107.006 179.366 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 . . . . . 0 CA--C 1.514 -0.424 0 CA-C-O 122.222 1.01 . . . . 0.0 108.703 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 mt -58.53 -32.82 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.662 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.1 m -62.6 -34.75 77.65 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.295 1.038 . . . . 0.0 109.903 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -71.84 -42.4 66.99 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 119.66 1.118 . . . . 0.0 109.676 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -52.03 -56.61 5.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 C-N-CA 124.247 1.019 . . . . 0.0 108.853 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 ptt-85 -67.67 -31.61 71.71 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 118.42 -0.8 . . . . 0.0 111.972 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.77 88.89 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 119.149 0.886 . . . . 0.0 111.431 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.57 93.65 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.3 -34.12 75.99 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.742 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -57.93 -50.76 72.24 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -54.2 -47.57 71.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.0 1.32 . . . . 0.0 109.919 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.21 -49.14 74.94 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.419 0.688 . . . . 0.0 111.373 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -77.64 -32.39 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 118.184 -0.913 . . . . 0.0 113.26 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.23 -33.55 76.07 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.216 1.406 . . . . 0.0 109.51 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -97.75 11.38 37.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.4 1.08 . . . . 0.0 110.363 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 47.3 29.68 1.31 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.32 2.248 . . . . 0.0 113.532 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -59.57 -36.52 76.38 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.943 1.697 . . . . 0.0 108.021 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 t -153.99 175.6 13.19 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 125.425 1.49 . . . . 0.0 107.852 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.96 153.52 37.17 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.145 1.778 . . . . 0.0 106.774 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -52.12 -39.25 59.58 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.707 1.139 . . . . 0.0 112.631 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -50.98 67.64 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.045 0.938 . . . . 0.0 111.405 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -63.48 -38.84 92.68 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.993 -0.527 . . . . 0.0 109.92 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 69.7 mt -58.99 -46.05 91.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.449 ' HA ' HD11 ' A' ' 35' ' ' ILE . . . -60.67 -49.36 77.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.287 0.949 . . . . 0.0 111.399 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.9 tp -54.4 -51.22 65.55 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.221 1.008 . . . . 0.0 111.21 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -79.9 -23.03 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.4 p -93.03 -21.08 19.95 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.676 1.126 . . . . 0.0 112.207 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.54 -0.92 78.21 Favored Glycine 0 CA--C 1.536 1.402 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.0 mt -89.17 -172.68 3.75 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.531 1.532 . . . . 0.0 107.187 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 t -115.81 148.86 39.42 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -50.92 61.85 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.458 1.503 . . . . 0.0 110.42 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.6 -38.44 87.67 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 119.151 -0.805 . . . . 0.0 111.963 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.3 m -67.3 -54.33 21.73 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.595 1.158 . . . . 0.0 109.756 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.449 HD11 ' HA ' ' A' ' 25' ' ' ALA . 27.9 mt -54.02 -54.28 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.118 0.967 . . . . 0.0 109.611 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -54.79 -44.17 73.51 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 123.962 0.905 . . . . 0.0 110.071 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -69.81 -37.73 76.36 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.358 0.526 . . . . 0.0 111.517 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -61.99 -45.77 92.17 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.78 -47.88 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -70.38 1.05 5.42 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.625 1.17 . . . . 0.0 112.135 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.06 -1.64 1.38 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 127.129 2.172 . . . . 0.0 112.148 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -71.89 -25.44 61.93 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 127.824 2.449 . . . . 0.0 115.121 -177.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -63.76 149.09 47.57 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -153.96 97.4 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.89 92.94 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 49.05 47.38 21.92 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.748 1.219 . . . . 0.0 110.04 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -55.76 -31.46 62.59 Favored 'General case' 0 C--O 1.23 0.054 0 C-N-CA 124.188 0.995 . . . . 0.0 113.497 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.8 -36.75 84.94 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.406 1.003 . . . . 0.0 109.628 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -63.21 -37.92 89.13 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.4 t -65.02 -52.65 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 117.362 -1.304 . . . . 0.0 108.11 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.4 p -54.81 -51.99 64.09 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 120.044 1.293 . . . . 0.0 110.234 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -55.76 -40.23 72.29 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.004 0.922 . . . . 0.0 111.488 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.0 m -68.66 -37.66 79.81 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.524 0.602 . . . . 0.0 110.084 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.5 mt -67.13 -36.32 81.64 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 118.267 -0.873 . . . . 0.0 109.168 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -57.7 -50.33 73.56 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 123.304 0.642 . . . . 0.0 109.697 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -58.51 -44.14 89.36 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 122.349 0.26 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -64.09 -45.7 87.55 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 118.688 -0.672 . . . . 0.0 109.499 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.61 -37.22 85.41 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 123.932 0.893 . . . . 0.0 110.823 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.91 -42.27 98.89 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.749 0.82 . . . . 0.0 108.834 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -72.94 -30.41 63.84 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.339 -0.851 . . . . 0.0 110.712 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -61.63 1.82 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.735 1.214 . . . . 0.0 113.2 -179.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -67.22 -14.82 63.27 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 117.329 2.344 . . . . 0.0 117.329 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.954 0 CA-C-N 120.798 1.635 . . . . 0.0 111.09 -179.359 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.6 p-10 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.4 mt -49.84 -40.84 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 124.668 1.187 . . . . 0.0 112.005 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 m -65.51 -41.99 92.55 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.158 0.583 . . . . 0.0 112.484 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -74.15 -38.08 63.84 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.247 0.93 . . . . 0.0 109.426 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -51.7 -55.29 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 ptt-85 -67.73 -27.23 66.62 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 118.413 -0.803 . . . . 0.0 112.18 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.46 -30.35 69.61 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.205 0.912 . . . . 0.0 111.587 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.81 -42.9 19.55 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.4 mt -58.6 -42.79 88.95 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 118.314 -0.851 . . . . 0.0 112.911 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -55.72 -44.09 77.14 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 124.124 0.89 . . . . 0.0 109.333 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -57.92 -48.43 79.92 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.35 0.977 . . . . 0.0 110.516 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.37 -46.88 85.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.978 0.911 . . . . 0.0 111.497 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.63 -32.4 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 121.06 -1.025 . . . . 0.0 112.245 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.33 -24.79 67.36 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.875 1.27 . . . . 0.0 111.935 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -109.21 10.92 25.72 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.646 0.778 . . . . 0.0 111.871 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 56.31 24.03 7.85 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.637 1.975 . . . . 0.0 112.655 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.26 -22.52 66.92 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 126.577 1.951 . . . . 0.0 113.057 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -157.82 -166.57 2.02 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 127.8 2.44 . . . . 0.0 105.263 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 m -144.64 151.86 39.61 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 120.403 -1.436 . . . . 0.0 107.581 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -52.53 -34.42 49.82 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.567 1.076 . . . . 0.0 112.432 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -62.84 -47.0 85.29 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 118.215 0.461 . . . . 0.0 111.316 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.63 -43.71 88.68 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.024 -0.989 . . . . 0.0 108.945 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 54.6 mt -56.8 -47.56 82.61 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.2 71.03 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.392 1.077 . . . . 0.0 111.276 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.27 -42.26 95.03 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.951 1.3 . . . . 0.0 112.709 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.29 -43.63 50.06 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.071 1.348 . . . . 0.0 111.835 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.8 p -73.52 -36.08 65.67 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.33 -0.856 . . . . 0.0 111.516 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.25 16.95 38.66 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 125.651 1.596 . . . . 0.0 110.206 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.7 mt -104.73 167.17 9.89 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 126.277 1.831 . . . . 0.0 107.578 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 p -88.05 155.29 19.88 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.2 p -59.36 -31.42 69.18 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.026 -1.046 . . . . 0.0 111.954 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.63 -40.68 58.6 Favored Glycine 0 C--N 1.338 0.681 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.1 m -57.65 -52.46 65.32 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 117.726 0.763 . . . . 0.0 110.633 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -56.68 -49.19 79.08 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 C-N-CA 123.31 0.644 . . . . 0.0 109.574 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.3 t -59.24 -44.47 92.35 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.537 0.608 . . . . 0.0 110.978 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -67.66 -30.16 69.63 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.468 -0.77 . . . . 0.0 110.494 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -70.64 -48.63 53.98 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.01 -41.87 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -73.29 -3.81 29.28 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.565 0.746 . . . . 0.0 110.592 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 t70 58.67 19.88 7.21 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.258 2.623 . . . . 0.0 113.101 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -85.12 -27.96 25.89 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 126.377 1.871 . . . . 0.0 112.539 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -60.23 140.58 56.93 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -144.66 108.09 4.61 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.99 92.58 2.19 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-O 118.343 -1.254 . . . . 0.0 110.523 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 107.22 17.63 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 130.591 3.556 . . . . 0.0 110.651 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -55.01 -33.98 63.08 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.345 1.058 . . . . 0.0 110.934 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -68.47 -45.14 73.22 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.947 0.794 . . . . 0.0 109.421 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.3 ttt85 -56.36 -51.2 69.17 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.266 0.626 . . . . 0.0 109.593 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.9 t -62.4 -52.81 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 123.201 0.6 . . . . 0.0 109.947 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.5 p -57.99 -43.29 86.47 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.912 0.778 . . . . 0.0 112.158 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -64.3 -29.07 70.16 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.907 1.23 . . . . 0.0 111.119 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.2 m -74.8 -39.81 61.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.4 mt -71.43 -31.23 66.97 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.731 0.812 . . . . 0.0 109.982 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -58.74 -57.49 12.79 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 124.575 1.15 . . . . 0.0 108.822 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 mtp85 -55.75 -45.11 78.13 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 123.339 0.399 . . . . 0.0 111.113 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.441 ' CZ2' ' CE1' ' A' ' 61' ' ' TYR . 86.0 t90 -58.09 -48.36 80.39 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.603 0.761 . . . . 0.0 111.233 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -37.23 72.74 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.286 1.034 . . . . 0.0 112.131 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.87 -50.19 73.23 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -30.29 70.44 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.343 0.657 . . . . 0.0 111.042 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.441 ' CE1' ' CZ2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -59.6 -31.86 69.87 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.265 -0.897 . . . . 0.0 109.474 178.725 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -111.47 7.93 20.93 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.334 1.854 . . . . 0.0 113.331 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.793 0 CA-C-N 120.098 1.317 . . . . 0.0 109.062 179.792 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 . . . . . 0 N--CA 1.466 0.341 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.4 mt -49.24 -43.53 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.984 1.314 . . . . 0.0 112.691 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -29.0 70.33 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.93 -47.65 36.16 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.362 1.065 . . . . 0.0 108.692 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.0 mt -50.89 -60.53 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 126.127 1.771 . . . . 0.0 108.25 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -64.17 -26.0 68.33 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 118.371 -0.823 . . . . 0.0 112.931 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.63 -20.53 61.96 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.339 0.972 . . . . 0.0 112.098 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.39 -47.18 3.85 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.2 mt -57.76 -34.72 69.85 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.576 -0.955 . . . . 0.0 113.177 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -59.71 -45.35 92.41 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.508 0.595 . . . . 0.0 109.675 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 m -64.22 -42.59 96.5 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.124 1.369 . . . . 0.0 109.014 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -46.77 83.94 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.796 0.838 . . . . 0.0 111.791 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.63 -37.47 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 C-N-CA 118.66 -1.216 . . . . 0.0 111.228 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -63.88 -32.71 74.32 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.31 0.644 . . . . 0.0 110.87 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -92.31 4.8 52.59 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.227 1.011 . . . . 0.0 111.171 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 52.74 33.95 15.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.29 1.036 . . . . 0.0 111.279 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.78 -18.25 64.8 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.79 1.236 . . . . 0.0 109.686 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 t -171.28 -168.21 0.61 Allowed 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 128.925 2.89 . . . . 0.0 106.363 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.5 p -135.56 160.3 38.92 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.885 1.674 . . . . 0.0 107.202 177.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -53.59 -36.22 61.7 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 122.067 -0.396 . . . . 0.0 110.515 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.421 ' HA ' HG22 ' A' ' 32' ' ' THR . 36.6 ttmt -68.67 -49.68 57.09 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 117.923 -1.037 . . . . 0.0 111.021 179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.24 -38.22 82.78 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.109 0.868 . . . . 0.0 110.399 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.8 mt -62.66 -47.4 93.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.25 79.89 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.569 0.747 . . . . 0.0 111.472 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.52 -56.64 17.82 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.935 1.294 . . . . 0.0 109.295 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.48 -45.15 84.8 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.836 1.254 . . . . 0.0 113.909 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.2 p -77.69 -19.91 54.54 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.58 -3.11 87.31 Favored Glycine 0 CA--C 1.538 1.474 0 O-C-N 121.234 -0.916 . . . . 0.0 110.921 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.4 mt -82.9 178.27 8.24 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 119.137 1.469 . . . . 0.0 110.023 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 t -91.98 150.2 21.13 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 22' ' ' LYS . 71.8 p -60.18 -42.93 96.06 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 122.885 0.474 . . . . 0.0 110.467 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.77 -36.15 86.68 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 124.138 0.875 . . . . 0.0 111.586 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.2 m -60.57 -49.26 78.27 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 117.734 0.767 . . . . 0.0 110.187 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.1 mt -54.59 -52.17 43.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 118.657 0.662 . . . . 0.0 110.173 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.0 p -61.25 -44.84 96.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.991 -0.528 . . . . 0.0 111.895 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 t -62.37 -36.4 82.16 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.253 0.621 . . . . 0.0 110.61 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -66.53 -51.02 61.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 121.282 -0.886 . . . . 0.0 109.587 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.47 -42.06 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 123.771 0.828 . . . . 0.0 109.821 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -70.09 -10.08 57.56 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.787 1.235 . . . . 0.0 111.427 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.9 t70 59.99 47.9 9.29 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 128.183 2.593 . . . . 0.0 110.768 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -131.98 -1.97 3.67 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.548 1.939 . . . . 0.0 113.128 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -61.11 135.6 57.81 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 119.5 1.045 . . . . 0.0 111.225 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -113.48 110.18 19.87 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 125.279 1.432 . . . . 0.0 107.223 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 153.58 -145.81 13.54 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 108.66 -1.776 . . . . 0.0 108.66 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -85.36 77.51 9.93 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -53.93 -32.76 54.7 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.693 -0.629 . . . . 0.0 110.085 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.69 -41.67 87.68 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.013 1.325 . . . . 0.0 110.745 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -55.93 -51.92 65.93 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.9 t -58.78 -53.48 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 O-C-N 124.643 1.214 . . . . 0.0 109.193 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -52.09 -54.35 31.34 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.497 1.119 . . . . 0.0 111.313 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -60.36 -37.46 80.78 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.903 -0.498 . . . . 0.0 111.662 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.7 m -68.48 -30.3 69.11 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.385 -0.822 . . . . 0.0 109.894 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.5 mt -76.38 -37.54 57.04 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-O 118.056 -0.973 . . . . 0.0 108.672 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -50.95 -51.84 48.4 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.255 1.022 . . . . 0.0 110.372 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 mmm-85 -56.95 -48.78 77.51 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 123.495 0.718 . . . . 0.0 110.82 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.42 ' CZ2' ' CE1' ' A' ' 61' ' ' TYR . 85.8 t90 -63.6 -44.08 95.02 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 119.543 -0.265 . . . . 0.0 110.834 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.86 -35.39 79.84 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 120.978 -1.076 . . . . 0.0 110.625 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.86 -46.28 88.62 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.318 0.647 . . . . 0.0 109.892 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -31.24 70.97 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.291 0.95 . . . . 0.0 110.102 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.42 ' CE1' ' CZ2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -72.31 -65.66 0.75 Allowed 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -179.442 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -79.21 -3.45 45.8 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 117.582 2.438 . . . . 0.0 117.582 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.413 0 CA-C-N 123.664 2.938 . . . . 0.0 113.151 -178.936 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.9 p30 . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 119.732 -0.175 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.8 mt -45.54 -48.89 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.626 1.571 . . . . 0.0 113.491 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.5 t -59.94 -38.75 83.31 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.779 0.832 . . . . 0.0 110.873 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.22 -40.86 64.37 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.768 -0.582 . . . . 0.0 109.982 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.09 -57.05 13.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 C-N-CA 124.989 1.316 . . . . 0.0 107.493 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -60.76 -37.77 82.96 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.645 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -36.49 75.78 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-O 118.0 -1.0 . . . . 0.0 111.194 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.04 -44.27 91.78 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.125 -1.59 . . . . 0.0 109.125 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.6 mt -57.26 -34.62 68.82 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.676 -0.897 . . . . 0.0 113.184 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -50.39 -50.33 51.95 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.576 1.15 . . . . 0.0 111.268 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.94 -46.55 88.84 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.055 0.942 . . . . 0.0 110.741 -178.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.92 -41.14 82.05 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.08 0.952 . . . . 0.0 111.354 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.7 m -81.96 -26.68 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 119.794 1.179 . . . . 0.0 111.647 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.46 -39.94 70.62 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 124.384 1.074 . . . . 0.0 111.679 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -88.56 7.36 33.58 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 54.67 29.29 11.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.953 2.501 . . . . 0.0 111.758 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.5 -26.54 67.97 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.144 1.377 . . . . 0.0 110.073 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.4 t -159.88 175.53 12.97 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.009 1.724 . . . . 0.0 108.788 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.1 m -135.25 158.85 43.32 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.208 1.803 . . . . 0.0 107.054 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -52.35 -30.69 29.87 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.212 -0.93 . . . . 0.0 112.411 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -62.67 -53.58 52.4 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 124.644 1.177 . . . . 0.0 110.473 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.46 -42.67 87.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.416 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.0 mt -60.91 -46.41 96.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.65 -51.75 67.52 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 124.358 1.063 . . . . 0.0 110.644 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -56.96 -38.44 72.96 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -85.99 -38.01 18.37 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 p -76.19 -35.98 58.85 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.108 0.963 . . . . 0.0 110.899 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.36 -3.64 56.64 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 127.02 2.248 . . . . 0.0 110.673 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.5 mt -85.66 167.28 15.46 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 120.089 1.944 . . . . 0.0 111.074 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 t -75.96 144.92 40.72 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.0 p -56.84 -42.55 79.85 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 110.165 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.54 -37.42 89.67 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-O 118.682 -1.066 . . . . 0.0 111.44 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.7 m -62.11 -51.64 67.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 117.695 -1.145 . . . . 0.0 108.956 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.54 -50.09 74.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 119.705 1.139 . . . . 0.0 109.258 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -59.13 -41.73 88.94 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.509 -0.745 . . . . 0.0 111.595 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.68 -41.0 92.95 Favored 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 120.964 -1.085 . . . . 0.0 108.853 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -57.94 -53.32 59.6 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.761 1.225 . . . . 0.0 109.594 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 25.2 mt -58.11 -46.94 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 120.098 1.317 . . . . 0.0 110.574 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.56 1.36 16.98 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 118.511 -0.757 . . . . 0.0 112.848 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.4 t70 55.46 33.08 20.23 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.085 1.754 . . . . 0.0 112.35 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -100.68 -1.45 35.16 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 126.36 1.864 . . . . 0.0 110.711 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -63.17 159.6 17.23 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 118.167 0.44 . . . . 0.0 111.35 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -60.78 -75.21 0.07 Allowed 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.489 1.116 . . . . 0.0 110.63 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.72 -177.82 47.6 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 106.893 -2.483 . . . . 0.0 106.893 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 63.91 34.48 11.61 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.5 -31.26 61.89 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 126.929 2.092 . . . . 0.0 109.083 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -55.07 -41.35 71.39 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.46 1.504 . . . . 0.0 111.472 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -65.7 -38.03 88.09 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.048 -1.658 . . . . 0.0 109.383 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.33 -52.87 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.1 p -59.03 -47.44 85.22 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 119.343 0.974 . . . . 0.0 110.622 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -57.23 -36.3 70.74 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.611 0.764 . . . . 0.0 110.26 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.8 m -72.82 -36.19 67.46 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.78 -34.95 77.78 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 116.379 -1.772 . . . . 0.0 110.378 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -54.0 -47.62 71.26 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 119.682 1.128 . . . . 0.0 110.134 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -57.58 -40.57 79.29 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.623 0.647 . . . . 0.0 112.432 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -73.1 -50.93 20.03 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.959 -0.463 . . . . 0.0 110.427 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.3 -36.07 79.07 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 124.564 1.146 . . . . 0.0 113.553 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -62.03 -48.37 80.56 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.252 0.621 . . . . 0.0 110.214 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -69.7 -30.99 68.77 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 118.379 0.536 . . . . 0.0 110.495 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.27 -59.34 3.81 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 123.305 0.642 . . . . 0.0 110.516 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -77.37 -1.07 28.18 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.217 0 CA-C-N 120.029 1.286 . . . . 0.0 107.747 179.592 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 120.485 0.183 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 mm -47.1 -46.9 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 126.712 2.005 . . . . 0.0 111.69 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.8 p -64.06 -30.86 71.9 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -79.23 -39.92 31.94 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.27 -54.43 32.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 C-N-CA 125.616 1.566 . . . . 0.0 108.133 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -60.14 -39.36 86.05 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.267 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.21 83.24 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.382 1.073 . . . . 0.0 112.261 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.67 97.9 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.427 HD11 HD13 ' A' ' 54' ' ' LEU . 47.8 mt -61.0 -34.27 74.54 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 122.108 -0.643 . . . . 0.0 112.02 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -48.05 81.35 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 118.092 -0.956 . . . . 0.0 108.813 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 m -54.1 -43.39 70.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.485 0.584 . . . . 0.0 111.915 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.94 -54.36 46.98 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.57 0.748 . . . . 0.0 110.285 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.79 -34.53 61.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.345 -0.847 . . . . 0.0 111.939 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.84 -26.56 68.2 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.323 1.449 . . . . 0.0 111.401 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -105.35 8.35 33.69 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.296 1.438 . . . . 0.0 110.934 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 59.47 19.95 8.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.8 2.04 . . . . 0.0 112.749 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -55.9 -42.69 76.4 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 127.752 2.421 . . . . 0.0 113.939 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 t -154.47 143.55 21.11 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 p -79.39 157.63 27.56 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.422 0.63 . . . . 0.0 110.782 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -54.83 -30.91 58.57 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.963 0.905 . . . . 0.0 110.255 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -72.09 -48.85 40.98 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 126.664 1.986 . . . . 0.0 109.713 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -57.84 -44.83 86.78 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 83.0 mt -56.71 -43.33 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.74 -48.24 77.84 Favored 'General case' 0 C--N 1.339 0.112 0 O-C-N 121.323 -0.861 . . . . 0.0 112.141 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -47.16 86.88 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.372 0.606 . . . . 0.0 109.968 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HB2' ' HE1' ' A' ' 57' ' ' TRP . 17.8 mt-10 -70.54 -42.64 70.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.5 p -76.2 -22.48 55.23 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 119.533 1.06 . . . . 0.0 111.713 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.33 -0.74 89.27 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.288 1.423 . . . . 0.0 111.349 -178.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.2 mt -86.75 165.56 15.95 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.7 p -81.63 163.12 22.78 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 119.45 -0.9 . . . . 0.0 108.627 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -46.61 89.53 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 177.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.69 -44.64 69.34 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-O 118.756 -1.025 . . . . 0.0 111.021 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.2 m -53.36 -55.54 24.03 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.231 0.613 . . . . 0.0 111.557 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.4 mt -53.94 -55.22 15.06 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 C-N-CA 124.336 1.054 . . . . 0.0 111.159 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 p -61.72 -41.71 97.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 t -67.35 -37.62 83.53 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -65.52 -47.47 75.85 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.703 1.201 . . . . 0.0 109.11 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.1 mt -63.89 -37.89 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 118.648 0.658 . . . . 0.0 109.949 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -83.72 4.63 27.94 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.879 0.872 . . . . 0.0 111.204 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 61.82 3.05 0.82 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 129.044 2.938 . . . . 0.0 113.01 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -73.08 -15.26 61.5 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.299 1.839 . . . . 0.0 112.821 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -65.96 91.07 0.14 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 119.95 1.25 . . . . 0.0 112.204 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -87.39 70.29 9.94 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.12 -154.51 6.75 Favored Glycine 0 CA--C 1.519 0.322 0 N-CA-C 108.902 -1.679 . . . . 0.0 108.902 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -73.18 66.57 0.88 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.046 1.738 . . . . 0.0 109.863 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -50.68 -42.46 56.84 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.383 1.873 . . . . 0.0 112.45 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -69.28 -35.56 76.17 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.772 0.714 . . . . 0.0 112.2 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -68.28 -41.41 81.05 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 120.451 -1.405 . . . . 0.0 108.035 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.52 -50.64 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.8 p -55.82 -51.39 67.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.108 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -56.71 -39.82 74.55 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 118.956 0.798 . . . . 0.0 111.225 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.9 m -68.01 -30.73 70.05 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.258 0.481 . . . . 0.0 109.915 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.427 HD13 HD11 ' A' ' 10' ' ' LEU . 85.8 mt -77.1 -32.62 56.74 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.272 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -59.06 -55.15 38.76 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 119.067 0.849 . . . . 0.0 109.396 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -58.37 -41.3 84.44 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.721 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.484 ' HE1' ' HB2' ' A' ' 27' ' ' GLU . 89.4 t90 -61.31 -50.4 73.13 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 119.383 -0.341 . . . . 0.0 110.089 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.44 -37.13 85.98 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.757 0.708 . . . . 0.0 111.453 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.55 -36.0 81.6 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.992 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -31.36 69.18 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 121.422 1.919 . . . . 0.0 109.128 178.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.55 -65.85 0.63 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 125.326 1.45 . . . . 0.0 108.65 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -70.08 -23.24 63.03 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.203 0 C-N-CA 126.204 1.802 . . . . 0.0 110.013 -178.484 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.3 p30 . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.812 0.339 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.5 mt -55.39 -44.47 75.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.108 -0.995 . . . . 0.0 112.764 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 t -62.73 -29.03 70.37 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.376 0.535 . . . . 0.0 110.12 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -77.4 -31.22 53.98 Favored 'General case' 0 N--CA 1.458 -0.071 0 O-C-N 120.72 -1.237 . . . . 0.0 111.225 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.51 -57.39 11.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.0 ptt-85 -58.18 -33.26 69.06 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 118.925 -0.559 . . . . 0.0 112.199 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.99 -26.34 64.41 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 118.776 -0.631 . . . . 0.0 112.518 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.56 -50.15 4.11 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -53.39 -37.27 62.3 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -60.26 -43.64 95.97 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 118.365 0.529 . . . . 0.0 109.671 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.6 m -61.52 -44.72 96.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.515 1.126 . . . . 0.0 109.111 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.53 -41.6 81.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.586 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.56 -33.32 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 119.802 1.183 . . . . 0.0 111.643 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -63.25 -26.4 68.77 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.663 0.785 . . . . 0.0 111.693 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -105.57 11.44 32.39 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.273 1.029 . . . . 0.0 109.491 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 50.58 31.49 5.74 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 127.962 2.505 . . . . 0.0 113.079 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.72 -31.23 72.37 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.364 1.466 . . . . 0.0 111.284 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.3 t -160.26 165.3 31.68 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.7 p -104.68 165.34 11.13 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.934 0.873 . . . . 0.0 111.856 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -57.46 -42.36 82.41 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.54 -45.62 89.73 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 117.735 -1.126 . . . . 0.0 110.749 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -62.87 -48.72 77.81 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 117.835 -1.078 . . . . 0.0 109.91 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.8 mt -55.66 -44.8 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 120.063 1.301 . . . . 0.0 108.609 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.99 93.19 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.616 0.766 . . . . 0.0 112.324 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 tp -64.95 -49.01 72.01 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 123.93 0.892 . . . . 0.0 109.29 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.75 -48.01 83.73 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.02 1.328 . . . . 0.0 110.33 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.4 p -79.51 -12.01 59.88 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.526 0.73 . . . . 0.0 112.855 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.39 12.74 73.32 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.37 0.986 . . . . 0.0 111.228 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.7 mt -87.7 166.51 14.61 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.118 1.459 . . . . 0.0 108.832 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.8 132.75 34.38 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 105.655 -1.98 . . . . 0.0 105.655 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.4 p -50.75 -30.12 13.2 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 121.856 2.117 . . . . 0.0 115.909 -176.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.42 -19.03 77.37 Favored Glycine 0 CA--C 1.539 1.545 0 CA-C-N 122.177 2.262 . . . . 0.0 112.708 178.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.1 m -67.81 -56.54 8.79 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.261 1.53 . . . . 0.0 114.351 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.7 mt -52.98 -57.17 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 C-N-CA 129.451 3.101 . . . . 0.0 108.968 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p -56.41 -43.38 79.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.545 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -66.91 -42.2 85.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.483 0.583 . . . . 0.0 110.808 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -60.21 -50.25 74.41 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.781 1.632 . . . . 0.0 108.623 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.2 mt -62.94 -41.16 91.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.808 0.843 . . . . 0.0 109.733 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -79.02 5.48 11.66 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.129 0.972 . . . . 0.0 113.514 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 61.64 31.25 18.72 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.357 1.863 . . . . 0.0 111.735 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -119.08 -2.72 10.72 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 117.316 -1.326 . . . . 0.0 113.079 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -72.38 104.44 3.76 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 120.444 1.475 . . . . 0.0 107.457 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -92.22 90.37 7.27 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 104.192 -2.521 . . . . 0.0 104.192 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.59 -159.48 23.62 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -70.94 68.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 128.379 2.672 . . . . 0.0 111.761 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -57.26 -32.07 66.2 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 121.406 -0.809 . . . . 0.0 109.437 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -62.83 -34.38 77.2 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.396 1.478 . . . . 0.0 111.262 178.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -74.99 -51.28 14.03 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 120.529 -1.357 . . . . 0.0 108.39 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -58.13 -46.62 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 125.714 1.606 . . . . 0.0 111.922 -179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.2 p -52.72 -51.35 60.81 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.052 0.941 . . . . 0.0 110.138 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -61.07 -39.2 89.0 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 118.539 -0.743 . . . . 0.0 112.608 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.7 m -65.59 -41.82 92.37 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.18 -39.35 92.77 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 118.579 -0.724 . . . . 0.0 110.226 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -56.88 -51.57 68.55 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 123.823 0.849 . . . . 0.0 110.95 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -61.73 -34.97 76.75 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 118.444 -0.788 . . . . 0.0 112.847 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -67.45 -52.79 35.26 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 124.439 1.087 . . . . 0.0 108.112 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.47 -46.83 80.22 Favored 'General case' 0 C--O 1.23 0.071 0 C-N-CA 125.336 1.454 . . . . 0.0 113.874 -178.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -59.3 -49.34 78.22 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.269 0.08 . . . . 0.0 110.889 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -31.89 73.21 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 118.646 -0.692 . . . . 0.0 110.005 178.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -62.18 1.82 Allowed 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.686 1.195 . . . . 0.0 110.905 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -75.8 4.94 7.01 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 178.923 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.7 t30 . . . . . 0 C--O 1.235 0.318 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -43.41 -44.9 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.589 1.955 . . . . 0.0 109.816 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.88 -51.54 63.36 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 128.143 2.577 . . . . 0.0 113.867 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -74.7 -35.29 62.72 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.26 0.624 . . . . 0.0 110.35 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.36 -59.33 4.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.093 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HB2' ' HA ' ' A' ' 39' ' ' ILE . 25.4 ptt85 -57.46 -37.48 72.94 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 117.892 -1.051 . . . . 0.0 113.267 -178.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.99 -46.11 82.47 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 123.628 0.58 . . . . 0.0 111.733 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.72 -42.43 99.39 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.9 mt -59.27 -34.1 71.85 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.577 0.751 . . . . 0.0 112.131 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -61.89 -48.48 80.29 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -62.91 -37.45 87.04 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.315 1.046 . . . . 0.0 110.719 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.47 -47.87 80.01 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.78 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 m -69.64 -31.97 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 118.557 -1.257 . . . . 0.0 110.053 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.66 -33.3 73.73 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.298 0.639 . . . . 0.0 109.895 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -95.78 3.16 54.02 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.104 1.362 . . . . 0.0 110.633 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 62.31 12.57 5.31 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.825 2.05 . . . . 0.0 112.811 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.15 -25.58 61.63 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.048 1.739 . . . . 0.0 109.777 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -150.15 171.12 17.42 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.788 1.635 . . . . 0.0 107.229 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.03 156.53 47.72 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 127.178 2.191 . . . . 0.0 105.374 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -52.9 -37.14 60.34 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.729 0.695 . . . . 0.0 111.199 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -71.5 -44.86 63.91 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.87 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -60.24 -45.71 92.31 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.222 1.009 . . . . 0.0 110.85 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.36 -51.78 65.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.68 -33.65 74.36 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.928 1.291 . . . . 0.0 113.115 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.2 tp -69.86 -48.83 57.33 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 124.057 0.943 . . . . 0.0 110.424 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' HB2' ' HE1' ' A' ' 57' ' ' TRP . 36.8 mm-40 -74.16 -43.66 56.53 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.264 0.626 . . . . 0.0 110.759 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.0 p -73.63 -21.45 60.3 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.69 1.132 . . . . 0.0 113.361 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.04 -6.68 78.29 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 123.985 0.802 . . . . 0.0 112.739 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.4 mt -75.64 170.26 16.51 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.422 1.489 . . . . 0.0 110.729 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.9 t -80.01 150.38 30.43 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -60.71 -45.37 94.47 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 118.943 0.792 . . . . 0.0 109.573 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.91 -42.48 70.01 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-O 118.45 -1.194 . . . . 0.0 112.084 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.1 m -53.23 -57.34 10.84 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.522 1.161 . . . . 0.0 111.431 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 mt -53.93 -54.42 20.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 123.968 0.907 . . . . 0.0 111.198 -178.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 p -58.99 -40.37 84.64 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 118.352 0.523 . . . . 0.0 112.27 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -66.2 -48.97 68.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -59.43 -46.82 87.64 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.058 1.743 . . . . 0.0 110.593 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.441 ' HA ' ' HB2' ' A' ' 7' ' ' ARG . 68.1 mt -55.99 -34.62 38.55 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 O-C-N 121.778 -0.577 . . . . 0.0 111.769 -179.291 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -98.83 7.45 46.03 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 118.556 -0.735 . . . . 0.0 112.834 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.8 t70 57.94 41.6 24.23 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.982 1.372 . . . . 0.0 108.906 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -112.3 -5.84 14.12 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.414 1.885 . . . . 0.0 112.113 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -76.16 171.26 14.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.857 1.263 . . . . 0.0 110.825 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -72.46 -169.98 0.6 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 128.663 2.785 . . . . 0.0 108.622 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.17 -169.33 41.63 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 107.413 -2.275 . . . . 0.0 107.413 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.7 t0 67.33 28.65 7.84 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.151 1.38 . . . . 0.0 109.004 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -53.05 -31.36 41.12 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 126.647 1.979 . . . . 0.0 108.893 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -53.72 -50.66 65.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.139 2.576 . . . . 0.0 111.074 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -59.69 -47.89 83.85 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.575 1.15 . . . . 0.0 109.224 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.6 t -64.29 -53.51 42.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 123.576 0.75 . . . . 0.0 109.881 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 p -55.0 -48.41 73.35 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.483 1.113 . . . . 0.0 111.226 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -61.74 -33.39 73.96 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.699 1.136 . . . . 0.0 111.312 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.2 m -68.56 -41.96 79.02 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.56 -34.11 73.72 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.854 0.862 . . . . 0.0 109.986 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -55.97 26.93 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.87 1.668 . . . . 0.0 107.984 178.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -55.25 -46.04 76.05 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.429 0.692 . . . . 0.0 109.379 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.433 ' HE1' ' HB2' ' A' ' 27' ' ' GLU . 89.5 t90 -61.41 -42.07 98.14 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 119.158 -0.448 . . . . 0.0 110.996 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.03 -39.28 90.08 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.613 1.097 . . . . 0.0 110.335 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -61.02 -39.54 90.12 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -73.94 -31.46 63.06 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 119.559 1.072 . . . . 0.0 110.223 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -59.47 3.31 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 118.623 0.647 . . . . 0.0 109.438 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -69.38 -18.53 63.78 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-N 121.126 1.784 . . . . 0.0 111.808 -178.599 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.1 mm -54.83 -42.43 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.0 t -52.08 -45.56 64.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 126.884 2.074 . . . . 0.0 111.507 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -71.93 -42.9 66.1 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.551 0.74 . . . . 0.0 111.321 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.19 -54.6 32.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -61.76 -35.37 77.92 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.52 -0.737 . . . . 0.0 110.814 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.33 -15.9 63.63 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 118.67 0.668 . . . . 0.0 111.33 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.72 -59.1 2.04 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.6 mt -55.25 -36.53 66.15 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.13 0.972 . . . . 0.0 113.228 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -61.01 -42.45 98.47 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.016 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -58.73 -44.01 90.36 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 118.889 0.768 . . . . 0.0 109.348 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.17 -49.92 72.62 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 123.826 0.704 . . . . 0.0 110.395 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -75.05 -32.43 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.283 -0.885 . . . . 0.0 112.862 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.82 -30.89 69.54 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 124.749 1.22 . . . . 0.0 111.36 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -97.2 6.42 48.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.34 1.056 . . . . 0.0 109.89 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 55.5 31.97 18.09 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.282 1.833 . . . . 0.0 111.857 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -66.76 -30.69 70.97 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.638 1.575 . . . . 0.0 108.81 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 t -163.22 -177.72 5.54 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.276 1.83 . . . . 0.0 109.345 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.2 p -121.61 162.8 20.01 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.603 1.161 . . . . 0.0 111.314 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -60.26 -35.12 74.78 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.862 0.865 . . . . 0.0 109.331 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -46.99 86.16 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 108.247 -1.019 . . . . 0.0 108.247 178.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -64.47 -48.76 74.02 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.084 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.0 mt -55.49 -45.63 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.73 -48.57 78.65 Favored 'General case' 0 C--O 1.224 -0.249 0 O-C-N 121.397 -0.815 . . . . 0.0 111.91 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.55 -39.62 88.59 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.684 0.794 . . . . 0.0 112.809 -178.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.96 -46.88 15.9 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.244 1.018 . . . . 0.0 110.728 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -70.97 -26.41 63.14 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 120.8 -1.188 . . . . 0.0 111.67 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.1 4.89 86.36 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 125.476 1.512 . . . . 0.0 110.591 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.2 mt -86.02 166.17 16.09 Favored 'General case' 0 C--N 1.338 0.1 0 CA-C-N 119.382 1.591 . . . . 0.0 109.351 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 t -73.32 141.57 47.12 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -32.54 69.45 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 125.009 1.324 . . . . 0.0 112.935 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.62 -38.75 19.73 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.495 HG23 ' CE1' ' A' ' 43' ' ' TYR . 24.2 m -56.79 -45.84 81.91 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 125.183 1.393 . . . . 0.0 112.055 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.8 mt -58.35 -46.34 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.11 -44.29 87.62 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 121.918 -0.489 . . . . 0.0 112.073 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -47.14 85.09 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -56.65 -47.41 79.82 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.53 1.132 . . . . 0.0 110.359 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.89 -33.19 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 O-C-N 121.732 -0.605 . . . . 0.0 110.206 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -84.22 1.98 42.01 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.217 0.917 . . . . 0.0 110.811 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 t70 70.9 10.19 6.93 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 128.341 2.656 . . . . 0.0 111.611 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -87.13 7.27 28.77 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.145 1.778 . . . . 0.0 114.069 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.495 ' CE1' HG23 ' A' ' 34' ' ' THR . 24.4 t80 -85.99 155.06 21.03 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.322 1.419 . . . . 0.0 107.189 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -149.97 152.43 34.94 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.119 1.367 . . . . 0.0 109.417 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.12 -49.81 4.16 Favored Glycine 0 C--N 1.331 0.287 0 N-CA-C 118.153 2.021 . . . . 0.0 118.153 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.69 21.62 12.42 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.56 1.18 . . . . 0.0 112.599 -177.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -49.3 -47.41 46.98 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 126.284 1.833 . . . . 0.0 112.067 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.1 -45.19 86.2 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.728 0.695 . . . . 0.0 110.573 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -61.66 -43.17 99.36 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 120.779 -1.201 . . . . 0.0 109.868 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.12 -51.2 75.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.9 p -57.11 -49.91 74.43 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.655 0.782 . . . . 0.0 110.317 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -57.38 -35.4 69.94 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.793 1.237 . . . . 0.0 111.584 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.6 m -75.62 -35.64 60.46 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.477 -0.764 . . . . 0.0 109.235 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.6 mt -71.18 -36.17 71.88 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 123.809 0.844 . . . . 0.0 109.781 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -50.37 73.42 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 125.024 1.329 . . . . 0.0 110.023 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -61.02 -43.18 99.27 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.029 0.532 . . . . 0.0 110.402 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -61.42 -49.51 76.58 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.41 -35.67 74.4 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.588 0.631 . . . . 0.0 111.833 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -67.33 -40.86 85.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 118.743 0.701 . . . . 0.0 109.27 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -31.68 64.07 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.606 0.639 . . . . 0.0 110.093 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.77 -44.57 69.88 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.444 0.697 . . . . 0.0 109.668 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -70.87 -5.06 27.69 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 118.65 -0.69 . . . . 0.0 111.698 177.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.912 0 CA-C-O 116.255 -1.831 . . . . 0.0 110.739 -179.709 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.4 t30 . . . . . 0 CA--C 1.537 0.466 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.426 HG22 HH11 ' A' ' 7' ' ' ARG . 8.3 mt -47.65 -42.5 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 125.916 1.686 . . . . 0.0 110.857 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.6 t -61.29 -38.02 85.28 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 117.658 -1.163 . . . . 0.0 112.611 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.79 -39.76 69.69 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 119.506 1.048 . . . . 0.0 109.625 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.7 mt -60.41 -53.71 45.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.426 HH11 HG22 ' A' ' 3' ' ' ILE . 32.5 ptt-85 -64.78 -34.5 78.49 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 117.608 -1.187 . . . . 0.0 111.589 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.96 -43.39 77.49 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.44 1.018 . . . . 0.0 112.39 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.93 -37.57 94.44 Favored Glycine 0 CA--C 1.523 0.581 0 CA-C-N 117.997 0.362 . . . . 0.0 112.478 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.3 -38.47 80.29 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 121.692 -0.887 . . . . 0.0 110.49 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -55.74 -48.49 75.13 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -57.15 -44.53 83.51 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.376 1.07 . . . . 0.0 110.557 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.01 -47.11 86.41 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.343 0.657 . . . . 0.0 110.451 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.9 -30.75 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-N 119.374 0.988 . . . . 0.0 112.26 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -60.37 -39.54 87.58 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 123.819 0.848 . . . . 0.0 109.975 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -92.01 9.72 32.04 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.136 1.374 . . . . 0.0 111.582 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 57.66 15.06 2.68 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.643 2.377 . . . . 0.0 114.595 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -50.21 -35.82 28.14 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 127.986 2.514 . . . . 0.0 112.195 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -163.59 166.53 22.34 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.173 0.989 . . . . 0.0 108.592 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -115.42 159.22 21.41 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -52.15 -36.94 52.93 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -64.39 -42.59 96.06 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 118.919 0.782 . . . . 0.0 110.799 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -65.17 -43.97 90.0 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 54.6 mt -59.23 -46.02 92.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.71 -45.88 88.57 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 124.196 0.999 . . . . 0.0 110.886 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.0 tp -57.81 -48.73 78.88 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.648 0.779 . . . . 0.0 111.399 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -78.24 -39.0 41.63 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -74.07 -28.06 61.21 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 121.639 -0.663 . . . . 0.0 110.586 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.73 -4.76 76.14 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 126.31 1.909 . . . . 0.0 110.199 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.6 mt -76.99 174.17 10.94 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 124.869 1.268 . . . . 0.0 108.955 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.7 t -90.5 149.13 22.32 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -55.91 -46.04 78.5 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.59 -48.38 84.88 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-O 118.226 -1.319 . . . . 0.0 111.451 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.3 m -54.09 -47.8 71.37 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 124.47 1.108 . . . . 0.0 110.676 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.1 mt -60.1 -49.19 85.02 Favored 'Isoleucine or valine' 0 C--O 1.23 0.07 0 CA-C-N 118.85 0.75 . . . . 0.0 109.444 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -61.0 -40.41 93.42 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.254 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -41.18 92.21 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 120.11 1.323 . . . . 0.0 108.759 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.78 -50.85 71.87 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.156 1.382 . . . . 0.0 110.234 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.1 mt -65.97 -44.05 92.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.096 0.558 . . . . 0.0 110.138 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -77.02 6.76 5.79 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.15 0.98 . . . . 0.0 112.331 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 61.05 16.96 7.53 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 128.11 2.564 . . . . 0.0 114.742 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -83.66 -23.3 31.83 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 120.586 -1.321 . . . . 0.0 109.196 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -72.03 129.94 39.74 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -139.32 155.24 47.84 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 126.641 1.976 . . . . 0.0 106.378 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.32 98.98 0.39 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.671 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 69.15 38.16 1.98 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.408 1.483 . . . . 0.0 110.635 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -57.34 -35.47 69.95 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.056 1.342 . . . . 0.0 110.609 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -60.76 -36.6 79.36 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.604 0.762 . . . . 0.0 110.412 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -64.35 -43.37 94.8 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 120.405 -1.435 . . . . 0.0 108.521 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -62.83 -46.61 95.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.6 p -58.4 -50.64 72.98 Favored 'General case' 0 C--N 1.34 0.186 0 CA-C-N 119.059 0.845 . . . . 0.0 109.558 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -55.76 -36.46 67.33 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 124.766 1.227 . . . . 0.0 111.554 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.1 m -70.33 -38.01 74.81 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.48 -35.15 73.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.121 -0.942 . . . . 0.0 109.937 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -57.24 -53.15 61.32 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.692 0.797 . . . . 0.0 110.29 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -58.58 -35.12 71.89 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 59.6 t90 -70.43 -54.49 12.15 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.49 -36.26 68.92 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.012 1.325 . . . . 0.0 112.489 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -59.32 -40.5 86.47 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.671 0.788 . . . . 0.0 110.751 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -82.91 -32.09 27.46 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.071 0.396 . . . . 0.0 110.311 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -52.15 65.09 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -77.52 9.51 3.27 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 CA-C-N 119.808 1.185 . . . . 0.0 110.673 179.498 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 mt -54.21 -36.29 32.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 O-C-N 121.077 -1.014 . . . . 0.0 110.239 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 t -68.44 -47.8 66.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.551 1.54 . . . . 0.0 109.639 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.07 -42.99 99.52 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.14 0.976 . . . . 0.0 110.659 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.3 mt -56.8 -59.55 2.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 124.815 1.246 . . . . 0.0 108.964 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -59.17 -36.7 75.77 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.958 0.799 . . . . 0.0 111.235 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.35 -18.54 65.42 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 118.206 -0.902 . . . . 0.0 113.297 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.76 -42.35 4.47 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 119.149 0.886 . . . . 0.0 110.95 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.2 mt -58.84 -37.86 77.42 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.17 0.985 . . . . 0.0 111.086 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -56.2 -43.1 78.18 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.066 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 m -56.75 -42.66 79.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 119.036 0.834 . . . . 0.0 111.403 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.97 -47.54 77.25 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.201 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -69.97 -38.03 74.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 118.777 -1.169 . . . . 0.0 111.932 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -61.01 -27.48 68.35 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.868 1.667 . . . . 0.0 112.031 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -100.53 7.1 44.3 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.073 1.349 . . . . 0.0 110.615 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 56.85 13.79 1.6 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 127.575 2.35 . . . . 0.0 113.511 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.48 -38.92 14.74 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.912 2.485 . . . . 0.0 111.942 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 t -160.96 143.74 12.75 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.41 157.44 23.68 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.882 0.372 . . . . 0.0 111.911 -178.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.49 ' HA ' HD12 ' A' ' 24' ' ' ILE . 25.4 m-85 -53.12 -35.43 59.67 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.65 1.18 . . . . 0.0 111.874 178.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -66.1 -36.99 84.63 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.01 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -68.92 -42.39 76.85 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 21' ' ' PHE . 42.5 mt -56.49 -49.91 75.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.81 87.97 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 123.594 0.758 . . . . 0.0 111.463 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.61 -47.28 82.06 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -76.97 -32.11 57.03 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.1 p -81.08 -22.72 38.97 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 121.827 -0.546 . . . . 0.0 110.71 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.59 -6.11 70.85 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.878 1.228 . . . . 0.0 111.44 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.8 mt -75.38 172.14 12.99 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.786 1.293 . . . . 0.0 108.362 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m -88.65 157.12 18.66 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 177.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.9 p -59.98 -42.86 95.11 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.203 -0.935 . . . . 0.0 110.994 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.51 -26.51 66.59 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 125.02 1.295 . . . . 0.0 112.582 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.4 m -70.25 -55.43 9.28 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.236 1.518 . . . . 0.0 110.413 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.2 mt -54.2 -49.78 60.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 C-N-CA 124.212 1.005 . . . . 0.0 110.502 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.5 p -61.98 -44.39 96.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.2 p -67.16 -38.09 84.88 Favored 'General case' 0 N--CA 1.414 -2.233 0 O-C-N 121.809 -0.557 . . . . 0.0 109.922 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -61.14 -52.42 64.95 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.951 0.9 . . . . 0.0 108.889 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.0 mt -55.32 -32.74 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.865 0.866 . . . . 0.0 112.082 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -102.55 20.53 16.94 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 61.41 6.23 1.38 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.644 1.978 . . . . 0.0 112.776 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -74.18 -29.33 61.71 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 120.411 -1.431 . . . . 0.0 111.629 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -70.16 141.36 52.63 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -153.13 75.58 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.4 60.4 0.19 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 76.87 58.4 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 126.94 2.096 . . . . 0.0 108.609 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -58.11 -31.9 67.58 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.36 -41.51 97.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.811 2.045 . . . . 0.0 110.83 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -48.03 54.61 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 69.9 t -55.23 -47.51 77.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 123.755 0.822 . . . . 0.0 109.223 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 p -58.15 -42.16 85.33 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.444 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -64.17 -32.49 74.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 120.011 1.278 . . . . 0.0 111.171 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.1 m -72.9 -40.61 65.4 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.08 -1.013 . . . . 0.0 108.658 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.12 -38.59 88.56 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.198 0.999 . . . . 0.0 110.076 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.12 -52.24 52.84 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.682 1.993 . . . . 0.0 111.52 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -61.7 -43.62 98.5 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.129 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -61.56 -44.5 96.92 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 119.158 -0.449 . . . . 0.0 110.977 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.71 -39.93 80.22 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 118.752 0.705 . . . . 0.0 111.046 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -58.09 -44.34 87.56 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 118.268 -0.873 . . . . 0.0 109.984 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -70.17 -31.7 69.29 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.307 0.958 . . . . 0.0 110.93 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.59 -50.95 47.64 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -82.18 -14.07 56.18 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.199 0 CA-C-N 122.568 2.44 . . . . 0.0 112.374 -179.113 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.4 t30 . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.413 ' HA ' HD12 ' A' ' 6' ' ' ILE . 25.1 mt -49.1 -45.57 17.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 126.845 2.058 . . . . 0.0 111.172 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.5 t -58.29 -32.58 68.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.026 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -81.55 -35.48 30.22 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.394 0.997 . . . . 0.0 111.371 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 3' ' ' ILE . 97.7 mt -53.98 -55.04 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.964 1.306 . . . . 0.0 108.621 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -58.95 -32.79 69.93 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 117.869 -1.063 . . . . 0.0 113.453 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.97 95.54 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 119.707 1.14 . . . . 0.0 110.641 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.62 -45.4 95.7 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.42 -37.09 77.16 Favored 'General case' 0 CA--C 1.517 -0.292 0 O-C-N 121.896 -0.767 . . . . 0.0 111.701 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -64.7 -46.92 80.31 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.0 m -56.31 -41.83 76.62 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.167 0.587 . . . . 0.0 110.149 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB3' HG22 ' A' ' 19' ' ' THR . 87.3 mt -63.46 -52.39 61.6 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 119.059 -0.496 . . . . 0.0 110.891 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.67 -32.86 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 119.293 0.951 . . . . 0.0 111.865 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.03 -28.2 68.68 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.968 1.307 . . . . 0.0 111.974 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -103.35 15.88 27.97 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.763 1.225 . . . . 0.0 110.108 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 56.38 18.57 3.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.755 1.622 . . . . 0.0 112.569 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.29 -39.79 94.63 Favored 'General case' 0 C--N 1.335 -0.054 0 C-N-CA 125.862 1.665 . . . . 0.0 110.114 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.4 HG22 ' HB3' ' A' ' 13' ' ' LEU . 1.6 t -143.44 179.15 7.28 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.934 1.294 . . . . 0.0 108.904 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 m -139.53 152.5 46.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.691 1.596 . . . . 0.0 107.097 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -52.98 -41.45 64.6 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 123.641 0.776 . . . . 0.0 111.068 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -44.03 87.76 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.274 178.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -67.79 -51.52 47.86 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 117.736 -1.126 . . . . 0.0 110.611 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.9 mt -52.17 -47.87 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 119.922 1.237 . . . . 0.0 108.196 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.47 88.31 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 123.862 0.865 . . . . 0.0 112.423 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.17 -56.53 20.94 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.055 0.542 . . . . 0.0 109.966 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -60.17 -43.99 95.38 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.417 1.487 . . . . 0.0 112.51 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.0 p -79.48 -19.89 48.66 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.892 0.769 . . . . 0.0 112.863 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.04 -1.6 88.4 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.837 1.208 . . . . 0.0 110.226 -177.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.5 mt -82.57 167.18 18.59 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 119.064 1.432 . . . . 0.0 110.139 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 t -78.93 147.13 33.14 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.5 p -60.44 -47.28 86.79 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.71 -33.94 60.2 Favored Glycine 0 C--N 1.341 0.828 0 C-N-CA 124.233 0.921 . . . . 0.0 112.224 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.7 m -66.35 -55.77 14.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -54.88 -51.04 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 C-N-CA 124.138 0.975 . . . . 0.0 111.487 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 p -61.11 -38.18 85.39 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 t -73.63 -39.59 64.41 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -56.79 -50.03 73.55 Favored 'General case' 0 CA--C 1.527 0.073 0 C-N-CA 126.813 2.045 . . . . 0.0 109.157 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.9 mt -58.09 -41.96 81.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 123.204 0.602 . . . . 0.0 110.293 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -79.69 0.12 31.72 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.733 0.813 . . . . 0.0 112.991 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . 0.257 1.8 t70 56.16 45.21 23.79 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 127.711 2.404 . . . . 0.0 109.367 -177.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -116.04 -10.41 11.57 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 126.161 1.784 . . . . 0.0 109.767 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -80.68 120.7 24.94 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 100.268 -3.975 . . . . 0.0 100.268 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -124.7 104.93 8.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.04 -123.18 1.15 Allowed Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -78.31 62.9 3.09 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.137 0.975 . . . . 0.0 109.362 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -66.45 -32.92 74.59 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.522 1.529 . . . . 0.0 111.746 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.98 -47.86 81.32 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.59 0.756 . . . . 0.0 110.397 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -55.51 -41.83 73.63 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 121.638 -0.663 . . . . 0.0 109.414 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.9 t -66.06 -52.48 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-O 118.081 -0.961 . . . . 0.0 108.914 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.6 p -56.3 -54.08 49.61 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 119.742 1.155 . . . . 0.0 111.512 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -56.71 -40.53 75.83 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.696 0.798 . . . . 0.0 110.555 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.5 m -68.02 -38.94 83.15 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.402 -0.811 . . . . 0.0 109.887 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.99 -25.62 61.91 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 117.684 -1.151 . . . . 0.0 111.078 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -66.76 -53.29 34.7 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 120.011 1.278 . . . . 0.0 108.404 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -57.9 -29.55 65.18 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 124.608 1.163 . . . . 0.0 111.745 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -78.53 -38.96 39.3 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.448 0.699 . . . . 0.0 109.402 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -44.21 81.18 Favored 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -178.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -54.16 -50.44 66.98 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 123.627 0.579 . . . . 0.0 111.639 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -66.8 -30.69 70.96 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 123.56 0.744 . . . . 0.0 110.73 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -62.45 1.85 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -69.79 -29.47 66.79 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 118.966 -1.094 . . . . 0.0 111.045 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 C-N-CA 129.266 3.026 . . . . 0.0 110.196 -178.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.607 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -74.49 78.68 2.66 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.959 3.106 . . . . 0.0 109.86 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 ptm -51.31 149.59 3.95 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 127.42 2.288 . . . . 0.0 110.951 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -72.8 162.22 29.76 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 mt -58.77 -34.01 50.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 O-C-N 121.585 -0.697 . . . . 0.0 109.57 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.9 m -59.38 -37.91 79.15 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.596 1.158 . . . . 0.0 110.71 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -69.34 -40.91 77.27 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 118.878 0.763 . . . . 0.0 109.598 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.33 -58.87 3.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -62.0 -33.15 73.81 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.651 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.16 -23.49 67.46 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-O 117.52 -1.229 . . . . 0.0 112.883 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.5 -44.53 5.82 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.5 mt -56.86 -38.98 73.46 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 121.464 -1.021 . . . . 0.0 112.372 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -59.73 -44.08 93.92 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 119.042 -0.504 . . . . 0.0 109.793 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -58.98 -43.44 91.41 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.418 1.087 . . . . 0.0 111.121 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.7 -50.94 64.98 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 119.137 -0.458 . . . . 0.0 111.066 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.5 m -67.75 -33.26 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 119.819 -0.752 . . . . 0.0 112.023 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.58 -34.55 71.22 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 124.77 1.228 . . . . 0.0 110.888 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -109.21 19.7 19.14 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.898 0.879 . . . . 0.0 112.689 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 59.65 17.79 6.55 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.921 1.688 . . . . 0.0 114.891 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.25 -20.9 65.73 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.173 1.789 . . . . 0.0 111.112 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 t -158.7 175.96 12.97 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.934 1.294 . . . . 0.0 108.011 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.2 p -137.19 161.75 35.32 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.086 1.354 . . . . 0.0 108.786 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -59.83 -43.24 94.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -61.51 -48.21 82.07 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.202 1.001 . . . . 0.0 112.305 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -65.88 -43.52 88.07 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 117.313 -1.327 . . . . 0.0 109.925 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.0 mt -60.05 -47.04 93.4 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.7 87.07 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 123.402 0.681 . . . . 0.0 111.105 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.0 tp -65.83 -49.03 69.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 119.218 -0.42 . . . . 0.0 110.868 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -67.74 -32.58 73.3 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.6 p -86.93 -18.41 30.86 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 121.837 -0.539 . . . . 0.0 112.202 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.78 13.11 82.56 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.2 mt -96.18 177.3 5.77 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.748 1.619 . . . . 0.0 107.515 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m -92.85 150.85 20.34 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 p -56.59 -46.5 80.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.112 0.965 . . . . 0.0 111.231 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.04 -35.76 78.15 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 118.938 -0.924 . . . . 0.0 112.863 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.0 m -61.73 -51.72 67.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.177 0.991 . . . . 0.0 110.359 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.0 -51.87 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 C-N-CA 124.063 0.945 . . . . 0.0 109.718 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 p -59.45 -45.59 91.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.476 -0.297 . . . . 0.0 111.225 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.14 -35.91 80.74 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.717 0.689 . . . . 0.0 112.133 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -64.18 -49.08 73.46 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.979 1.312 . . . . 0.0 107.476 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.72 -45.97 97.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -65.72 -6.45 11.61 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.594 1.157 . . . . 0.0 111.753 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 t0 53.85 44.69 29.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.25 1.42 . . . . 0.0 107.718 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -131.38 -6.12 3.77 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 127.211 2.204 . . . . 0.0 112.538 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -67.21 134.97 52.7 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -114.17 114.22 25.73 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.07 -157.06 27.36 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 108.527 -1.829 . . . . 0.0 108.527 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -79.51 83.61 5.48 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -60.42 -31.84 70.78 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 122.647 0.379 . . . . 0.0 110.206 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -64.22 -34.99 79.36 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.942 0.497 . . . . 0.0 110.286 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -62.16 -47.88 82.57 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 120.78 -1.2 . . . . 0.0 107.974 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.74 -46.38 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 125.04 1.336 . . . . 0.0 110.157 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 99.8 p -55.63 -51.33 67.57 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 119.272 0.942 . . . . 0.0 110.091 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -58.42 -36.58 73.82 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 118.426 -0.797 . . . . 0.0 113.079 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 m -69.27 -45.58 69.35 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.35 -30.31 71.47 Favored 'General case' 0 C--O 1.227 -0.095 0 O-C-N 120.764 -1.21 . . . . 0.0 112.464 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -60.67 -48.75 80.4 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 118.625 0.648 . . . . 0.0 110.103 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -59.56 -38.98 82.55 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 122.743 0.417 . . . . 0.0 110.552 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -65.25 -49.85 68.02 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.16 -36.0 78.61 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.321 -0.862 . . . . 0.0 111.366 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -59.82 -50.28 74.42 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.202 1.001 . . . . 0.0 109.622 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -69.03 -31.67 70.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.493 0.588 . . . . 0.0 111.514 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -62.71 1.31 Allowed 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -63.43 -17.05 62.27 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 179.01 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.441 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.05 98.49 0.44 Allowed 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.643 2.228 . . . . 0.0 108.377 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.437 ' HG2' ' H ' ' A' ' 1' ' ' MET . 8.9 ptm -56.79 142.01 42.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 126.345 1.858 . . . . 0.0 108.116 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.0 163.04 6.28 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 123.841 0.857 . . . . 0.0 112.636 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.0 mt -58.95 -40.4 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.6 t -57.36 -43.12 83.26 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.468 1.507 . . . . 0.0 108.187 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -70.55 -46.23 63.95 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 119.022 0.828 . . . . 0.0 110.12 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.99 -56.36 9.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 124.609 1.164 . . . . 0.0 108.345 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.413 ' HB2' ' HA ' ' A' ' 39' ' ' ILE . 38.2 ptt85 -67.15 -30.83 70.92 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.08 -40.12 78.64 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 118.754 0.706 . . . . 0.0 110.571 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.2 -43.88 93.38 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 108.085 -2.006 . . . . 0.0 108.085 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.412 HD11 HD13 ' A' ' 54' ' ' LEU . 29.3 mt -58.2 -41.01 83.03 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 117.945 -1.026 . . . . 0.0 111.407 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -58.81 -47.83 83.42 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.4 m -53.76 -54.62 35.58 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.539 0.524 . . . . 0.0 110.16 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.22 -39.18 81.9 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.686 0.675 . . . . 0.0 112.14 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -77.91 -37.66 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 119.934 -1.729 . . . . 0.0 112.415 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -69.49 -35.9 75.99 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.968 1.707 . . . . 0.0 110.086 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -81.5 -0.76 43.35 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.919 0.887 . . . . 0.0 110.521 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 69.67 12.19 8.03 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 128.672 2.789 . . . . 0.0 112.346 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -56.58 -37.7 70.96 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 126.182 1.793 . . . . 0.0 111.293 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 t -151.67 -177.18 5.95 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.821 0.848 . . . . 0.0 109.821 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.6 m -130.49 156.2 45.18 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.043 1.737 . . . . 0.0 106.609 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -52.66 -36.96 57.86 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.673 -1.267 . . . . 0.0 114.174 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -60.64 -39.76 89.48 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 118.849 -0.596 . . . . 0.0 112.061 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -67.04 -43.95 81.45 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 123.821 0.701 . . . . 0.0 110.221 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mt -61.81 -49.74 83.03 Favored 'Isoleucine or valine' 0 C--N 1.339 0.121 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.45 -49.66 73.96 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 123.548 0.739 . . . . 0.0 111.719 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.88 -44.79 82.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.026 1.331 . . . . 0.0 112.376 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -78.47 -41.31 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 p -73.33 -28.33 62.01 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 123.373 0.669 . . . . 0.0 112.145 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.61 12.73 60.58 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.419 -1.073 . . . . 0.0 110.419 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.8 mt -97.85 -177.68 3.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.898 1.349 . . . . 0.0 109.174 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.3 t -99.83 145.76 27.38 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 p -56.37 -51.7 67.34 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.529 1.132 . . . . 0.0 110.804 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.29 -43.55 93.65 Favored Glycine 0 C--N 1.338 0.692 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 49.5 m -59.16 -53.01 63.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 117.655 -1.164 . . . . 0.0 110.511 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.1 mt -56.08 -46.94 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 120.09 1.314 . . . . 0.0 109.378 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -44.09 82.7 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.835 -0.541 . . . . 0.0 110.881 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -36.58 77.44 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 123.995 0.918 . . . . 0.0 110.216 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -64.14 -46.84 82.3 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.535 1.134 . . . . 0.0 108.142 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.413 ' HA ' ' HB2' ' A' ' 7' ' ' ARG . 85.5 mt -58.83 -39.54 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 O-C-N 121.837 -0.539 . . . . 0.0 110.023 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -79.25 -3.43 45.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.7 t70 56.9 41.48 27.81 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.982 1.372 . . . . 0.0 108.58 -177.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -125.52 -6.21 6.99 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 125.952 1.701 . . . . 0.0 110.735 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -63.98 142.84 58.26 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 120.324 1.42 . . . . 0.0 108.092 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -117.87 92.55 3.86 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 104.503 -2.406 . . . . 0.0 104.503 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.27 -161.47 26.34 Favored Glycine 0 N--CA 1.435 -1.382 0 N-CA-C 107.326 -2.31 . . . . 0.0 107.326 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -88.0 85.99 7.06 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 102.743 -3.058 . . . . 0.0 102.743 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -56.22 -31.21 63.3 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.128 0.971 . . . . 0.0 109.163 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -60.91 -35.02 75.59 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.5 1.92 . . . . 0.0 110.075 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 tpp85 -68.74 -48.63 63.27 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 120.347 -1.471 . . . . 0.0 107.099 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.8 t -56.65 -46.59 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.083 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 p -59.87 -44.61 94.07 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.399 0.999 . . . . 0.0 110.058 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -60.69 -38.77 86.09 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.66 0.664 . . . . 0.0 111.328 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 m -69.83 -37.19 76.11 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.55 0.614 . . . . 0.0 109.9 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.412 HD13 HD11 ' A' ' 10' ' ' LEU . 74.6 mt -72.79 -28.62 62.7 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 117.24 -1.362 . . . . 0.0 110.287 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -58.32 -50.78 72.43 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.467 1.031 . . . . 0.0 109.405 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -57.35 -48.66 78.42 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 118.561 0.619 . . . . 0.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -59.94 -47.03 87.44 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.141 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.77 -35.15 78.88 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 124.606 1.163 . . . . 0.0 111.458 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.97 -50.27 71.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -66.0 -35.92 81.87 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 118.884 0.766 . . . . 0.0 109.666 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -53.34 38.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -60.62 -22.65 64.01 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 117.598 -1.191 . . . . 0.0 114.18 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.344 0 CA-C-N 120.004 1.275 . . . . 0.0 110.238 179.631 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.542 0 N-CA-C 109.719 -1.353 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -67.63 168.56 17.98 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.971 2.447 . . . . 0.0 110.759 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.4 mtm -150.01 157.65 43.36 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.333 1.053 . . . . 0.0 108.941 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -103.0 166.35 10.49 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.828 2.051 . . . . 0.0 108.585 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 mt -47.42 -53.9 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.558 1.143 . . . . 0.0 112.562 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -55.79 -35.28 66.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.379 1.072 . . . . 0.0 113.034 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.23 -47.38 16.04 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.889 1.676 . . . . 0.0 108.878 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.5 mt -53.52 -54.23 19.99 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 C-N-CA 124.773 1.229 . . . . 0.0 108.17 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 -63.42 -31.44 72.6 Favored 'General case' 0 C--N 1.339 0.114 0 CA-C-O 117.801 -1.095 . . . . 0.0 113.331 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.62 -46.59 85.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 119.221 0.918 . . . . 0.0 111.435 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.72 -41.01 93.62 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.99 -35.49 76.95 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.364 -1.08 . . . . 0.0 112.447 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -66.13 -46.66 76.76 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -54.03 -41.26 67.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.115 0.885 . . . . 0.0 110.244 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.426 ' HB3' HG22 ' A' ' 19' ' ' THR . 77.3 mt -65.05 -51.98 58.41 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.803 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -69.26 -29.55 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 119.78 1.173 . . . . 0.0 112.536 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.78 -23.6 64.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.676 1.591 . . . . 0.0 112.138 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -112.93 12.41 19.35 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.229 1.412 . . . . 0.0 110.808 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 60.38 17.39 7.12 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.612 2.365 . . . . 0.0 114.223 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.69 -22.99 67.19 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.786 2.034 . . . . 0.0 109.897 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.426 HG22 ' HB3' ' A' ' 13' ' ' LEU . 2.4 t -157.87 177.85 10.89 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.937 2.095 . . . . 0.0 108.345 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.0 m -141.06 151.74 44.27 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.894 1.678 . . . . 0.0 108.261 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -53.07 -40.18 63.85 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.828 1.195 . . . . 0.0 111.663 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -61.37 -45.89 92.51 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.414 1.086 . . . . 0.0 110.389 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -61.41 -52.05 66.22 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.981 1.313 . . . . 0.0 109.107 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.4 mt -55.84 -48.41 78.3 Favored 'Isoleucine or valine' 0 C--N 1.343 0.296 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.28 92.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.552 0.741 . . . . 0.0 112.039 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.1 -51.34 66.97 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.383 0.538 . . . . 0.0 110.195 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.05 -48.05 81.98 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -75.17 -19.7 59.71 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.612 1.165 . . . . 0.0 113.388 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.86 4.56 62.52 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.9 mt -82.72 167.29 18.34 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.8 m -84.28 150.7 25.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.239 -0.913 . . . . 0.0 108.921 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.1 p -57.86 -34.11 69.39 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 124.269 1.028 . . . . 0.0 110.409 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.65 -37.91 61.55 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 118.49 -1.172 . . . . 0.0 110.792 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.421 HG23 ' CE1' ' A' ' 43' ' ' TYR . 55.4 m -59.75 -52.84 63.76 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 118.872 1.336 . . . . 0.0 110.519 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.4 mt -54.68 -50.92 56.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 123.03 0.532 . . . . 0.0 110.301 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.0 p -63.99 -41.98 97.35 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.974 -0.536 . . . . 0.0 111.902 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -61.34 -46.75 88.94 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.736 1.614 . . . . 0.0 109.995 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -58.48 -48.36 81.03 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.172 1.389 . . . . 0.0 110.095 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mt -65.5 -36.05 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 119.305 -0.378 . . . . 0.0 110.353 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -83.08 9.01 11.28 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.164 1.386 . . . . 0.0 113.262 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 56.12 34.47 23.92 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.553 1.541 . . . . 0.0 111.571 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -116.28 2.51 13.26 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 120.557 -1.34 . . . . 0.0 114.249 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.421 ' CE1' HG23 ' A' ' 34' ' ' THR . 43.9 t80 -73.87 87.1 1.77 Allowed 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -81.4 58.89 3.8 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 123.783 0.833 . . . . 0.0 110.161 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.86 -149.48 5.05 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 125.431 1.491 . . . . 0.0 110.705 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -82.47 84.65 7.13 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -57.6 -36.78 72.21 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 125.079 1.351 . . . . 0.0 108.653 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -55.12 -36.65 65.95 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.305 2.242 . . . . 0.0 112.667 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -71.81 -42.42 67.06 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 121.052 -1.03 . . . . 0.0 109.141 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.26 -52.3 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-O 118.3 -0.857 . . . . 0.0 109.404 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 p -52.25 -51.62 57.29 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 119.593 1.088 . . . . 0.0 111.526 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -60.91 -31.93 71.42 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.5 m -73.37 -44.56 58.38 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.7 mt -60.78 -34.63 74.77 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.05 -1.031 . . . . 0.0 110.028 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -61.44 -48.19 82.27 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.544 1.137 . . . . 0.0 110.416 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -57.16 -42.95 82.04 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.862 0.755 . . . . 0.0 110.705 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -67.02 -46.79 73.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 119.031 -0.509 . . . . 0.0 109.732 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.6 mt -59.56 -36.48 76.29 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.065 0.946 . . . . 0.0 111.883 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -57.46 -49.95 74.6 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.274 1.029 . . . . 0.0 109.903 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -77.41 -32.27 54.59 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.575 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -59.32 5.23 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -65.51 -12.89 56.95 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-N 120.174 1.352 . . . . 0.0 110.352 -179.094 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.89 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -65.98 105.32 0.8 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 124.033 3.155 . . . . 0.0 108.28 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 mtp -84.77 139.72 31.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -90.48 171.53 9.36 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.0 mt -39.95 -57.13 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 125.841 1.656 . . . . 0.0 114.122 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.3 t -58.37 -49.39 77.4 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.721 -0.657 . . . . 0.0 111.509 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.58 -39.86 85.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 119.18 0.9 . . . . 0.0 110.917 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -63.27 -62.71 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.413 ' HA ' HD12 ' A' ' 10' ' ' LEU . 51.9 ptt85 -57.51 -30.1 64.87 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.764 0.711 . . . . 0.0 112.77 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.07 -26.51 65.87 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 117.949 -1.024 . . . . 0.0 112.106 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.16 -39.07 16.8 Favored Glycine 0 C--N 1.342 0.872 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 7' ' ' ARG . 29.7 mt -55.71 -44.76 77.76 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 124.607 1.163 . . . . 0.0 111.698 -179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -63.17 -38.05 89.65 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 123.438 0.461 . . . . 0.0 110.83 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 m -67.69 -37.77 82.75 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.429 ' HB3' HG22 ' A' ' 19' ' ' THR . 79.7 mt -63.27 -49.34 74.46 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.151 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.0 m -65.65 -35.94 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 119.391 0.996 . . . . 0.0 110.194 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -64.45 -24.7 67.71 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.288 1.035 . . . . 0.0 111.528 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -105.8 8.37 32.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.598 1.559 . . . . 0.0 110.469 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 60.58 12.82 3.82 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.491 2.316 . . . . 0.0 114.04 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.58 -20.33 63.18 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.642 1.577 . . . . 0.0 110.864 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.429 HG22 ' HB3' ' A' ' 13' ' ' LEU . 8.2 t -153.34 -177.62 6.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.193 1.797 . . . . 0.0 107.597 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.2 m -146.31 143.92 29.46 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -52.49 -41.68 63.61 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.91 1.686 . . . . 0.0 112.562 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.03 -43.98 97.68 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.458 0.703 . . . . 0.0 110.592 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -62.86 -47.13 84.67 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.647 1.179 . . . . 0.0 109.26 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 80.6 mt -58.1 -49.96 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.28 83.38 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 122.13 -0.356 . . . . 0.0 110.876 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.45 -53.43 54.93 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 122.848 0.459 . . . . 0.0 110.237 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.67 -47.71 74.56 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.661 0.784 . . . . 0.0 113.089 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.6 p -72.46 -21.45 61.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 118.95 0.796 . . . . 0.0 113.147 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.18 -2.12 87.55 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 mt -78.74 169.41 18.28 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 119.258 1.529 . . . . 0.0 109.413 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.1 t -83.75 147.14 27.79 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -60.94 -31.2 70.75 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.69 -29.71 63.01 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-O 118.81 -0.994 . . . . 0.0 111.706 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.6 m -70.08 -50.95 35.77 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.557 1.178 . . . . 0.0 111.645 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.7 mt -53.93 -51.49 44.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 123.244 0.618 . . . . 0.0 111.314 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.9 p -60.08 -43.04 95.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 118.043 0.383 . . . . 0.0 110.574 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -42.73 98.24 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.531 0.733 . . . . 0.0 110.143 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -62.69 -47.7 82.5 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.402 0.681 . . . . 0.0 109.4 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.05 -45.25 99.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 123.664 0.785 . . . . 0.0 109.375 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.93 -17.3 64.24 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.202 1.401 . . . . 0.0 111.48 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 t70 66.38 56.9 0.75 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.969 2.108 . . . . 0.0 105.606 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.433 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 0.5 OUTLIER -136.39 -1.14 2.36 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 128.095 2.558 . . . . 0.0 112.952 -178.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -77.76 106.19 9.42 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -82.25 -0.01 43.37 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.096 0.958 . . . . 0.0 112.029 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.75 -158.34 21.63 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -75.65 92.24 2.95 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -56.22 -39.58 72.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.486 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -67.68 -44.0 78.81 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 118.847 0.749 . . . . 0.0 109.935 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -56.29 -43.28 78.7 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.18 -0.95 . . . . 0.0 109.023 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.8 t -69.59 -48.88 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 118.125 -0.941 . . . . 0.0 109.052 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.3 p -54.01 -47.7 71.23 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.224 0.92 . . . . 0.0 110.572 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -61.38 -33.01 72.94 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.313 1.045 . . . . 0.0 111.627 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.1 m -73.3 -41.66 63.31 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.1 mt -67.9 -37.17 81.39 Favored 'General case' 0 C--O 1.227 -0.11 0 C-N-CA 123.674 0.789 . . . . 0.0 109.348 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -56.8 -58.4 8.27 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 126.523 1.929 . . . . 0.0 109.24 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.1 mtt-85 -56.1 -36.42 68.14 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -67.63 -48.77 65.79 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -36.75 83.61 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.703 0.801 . . . . 0.0 111.037 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -56.93 -49.56 75.25 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.5 1.52 . . . . 0.0 108.831 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -72.74 -31.73 65.17 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.088 0.858 . . . . 0.0 111.012 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -51.51 68.89 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.327 0.512 . . . . 0.0 109.927 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -77.88 5.12 10.29 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.789 0 CA-C-N 120.943 1.701 . . . . 0.0 109.852 -179.331 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.835 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -65.35 151.0 86.53 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.514 2.143 . . . . 0.0 111.055 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ptm -149.29 123.34 9.44 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.617 0.767 . . . . 0.0 109.904 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.29 158.03 9.87 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.5 mt -54.76 -32.68 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.506 0.722 . . . . 0.0 111.442 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -60.68 -31.38 70.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -81.37 -36.01 30.14 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 118.528 0.604 . . . . 0.0 110.308 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.54 -49.12 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -71.51 -24.02 61.89 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -51.08 67.78 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 119.242 0.928 . . . . 0.0 111.913 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.03 -42.31 54.26 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-O 122.026 0.792 . . . . 0.0 112.859 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.1 mt -59.23 -34.98 72.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 118.536 -0.745 . . . . 0.0 112.573 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -65.72 -45.96 80.73 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -58.99 -41.41 87.56 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 124.175 0.99 . . . . 0.0 110.481 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.32 -44.49 79.02 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.878 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.54 -33.21 55.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 118.872 -1.131 . . . . 0.0 110.875 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.12 -34.24 73.24 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.105 1.362 . . . . 0.0 110.801 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -97.28 6.59 48.12 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.62 1.168 . . . . 0.0 111.684 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 59.72 18.6 7.37 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.256 1.822 . . . . 0.0 112.355 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.6 -23.42 67.26 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 126.124 1.77 . . . . 0.0 110.123 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -155.68 172.48 18.23 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 124.258 1.023 . . . . 0.0 109.569 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.0 p -139.38 164.06 30.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.551 1.14 . . . . 0.0 109.725 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -58.4 -38.28 77.02 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.166 178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -72.01 -47.1 54.37 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.284 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -60.17 -48.04 83.39 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.659 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.9 mt -57.34 -50.05 78.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.39 89.97 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.151 0.98 . . . . 0.0 112.299 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.2 tp -67.41 -35.5 79.4 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 123.959 0.904 . . . . 0.0 111.688 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.47 -49.29 13.7 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 122.754 0.422 . . . . 0.0 110.841 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.6 p -74.06 -14.64 61.03 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.58 1.77 46.67 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.9 mt -82.25 164.44 21.18 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.2 m -82.85 148.74 27.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -56.95 -34.08 67.67 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.22 -37.01 80.67 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 118.791 0.723 . . . . 0.0 111.509 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.5 m -62.64 -47.28 84.4 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 118.291 -0.862 . . . . 0.0 111.866 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.6 mt -56.43 -53.87 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 119.94 1.246 . . . . 0.0 111.262 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 p -62.83 -39.67 95.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 119.293 -0.384 . . . . 0.0 111.689 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -63.68 -45.34 90.51 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -59.4 -49.25 78.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.096 1.358 . . . . 0.0 109.934 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.6 mt -60.68 -42.52 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 118.586 0.63 . . . . 0.0 109.897 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -75.42 2.05 12.41 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 117.214 -1.374 . . . . 0.0 113.14 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 57.88 44.86 19.29 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 120.659 1.572 . . . . 0.0 108.025 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.01 -6.26 7.86 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 127.349 2.26 . . . . 0.0 113.925 -178.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -80.82 157.63 25.66 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 120.725 1.602 . . . . 0.0 109.882 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -152.09 103.71 2.91 Favored 'General case' 0 CA--C 1.52 -0.192 0 O-C-N 120.982 -1.074 . . . . 0.0 108.761 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.01 107.69 0.99 Allowed Glycine 0 C--O 1.224 -0.507 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 55.98 39.33 30.54 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.034 0.917 . . . . 0.0 111.156 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -58.85 -34.6 71.76 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.108 -0.995 . . . . 0.0 110.008 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -67.2 -33.63 75.79 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.698 1.599 . . . . 0.0 110.013 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -65.31 -50.77 64.39 Favored 'General case' 0 C--N 1.341 0.198 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.26 -52.74 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.381 1.472 . . . . 0.0 110.706 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.4 p -53.83 -47.93 70.43 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.001 0.819 . . . . 0.0 110.272 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -64.24 -35.91 82.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.41 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.7 m -69.28 -36.8 77.43 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.0 mt -67.9 -32.39 72.83 Favored 'General case' 0 C--N 1.343 0.317 0 O-C-N 121.422 -0.799 . . . . 0.0 109.836 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -60.11 -49.48 77.46 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.319 0.648 . . . . 0.0 111.044 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.7 mtt85 -59.53 -38.09 80.1 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 122.234 -0.291 . . . . 0.0 110.929 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 50.4 t90 -69.36 -42.43 75.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 118.969 -0.539 . . . . 0.0 110.12 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -36.27 83.23 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.179 0.899 . . . . 0.0 109.625 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -59.42 -46.34 88.99 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 117.153 -1.404 . . . . 0.0 109.533 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -72.34 -31.83 65.98 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.79 1.177 . . . . 0.0 111.319 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -52.24 53.45 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -92.32 2.72 56.47 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.92 0 CA-C-N 121.759 2.072 . . . . 0.0 109.889 178.946 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.622 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.95 166.01 30.69 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.17 1.913 . . . . 0.0 108.445 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 ptm -153.38 166.31 33.04 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -113.71 178.06 4.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.724 0.773 . . . . 0.0 111.335 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 mt -51.99 -42.79 35.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 125.135 1.374 . . . . 0.0 111.803 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 p -65.86 -43.53 88.15 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.347 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.88 -43.08 85.84 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 123.922 0.889 . . . . 0.0 110.387 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.03 -56.66 15.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 124.903 1.281 . . . . 0.0 108.324 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -63.58 -35.29 80.0 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 119.324 -0.95 . . . . 0.0 111.079 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.84 -17.67 65.0 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.193 0.997 . . . . 0.0 112.175 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.7 -56.23 2.15 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.5 mt -52.53 -33.58 45.97 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.907 1.683 . . . . 0.0 113.473 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -50.99 -47.98 61.41 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -57.47 -48.58 78.8 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.33 1.452 . . . . 0.0 110.296 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.36 -38.05 68.31 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.179 1.392 . . . . 0.0 113.397 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.5 m -82.17 -24.97 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 118.889 -1.124 . . . . 0.0 112.313 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -74.1 -34.91 64.11 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -88.81 -0.02 56.95 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.708 1.603 . . . . 0.0 112.46 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 56.96 28.67 15.07 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.765 1.226 . . . . 0.0 112.326 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.33 -12.12 48.71 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.925 1.69 . . . . 0.0 110.56 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 t -173.86 -171.21 0.63 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 129.957 3.303 . . . . 0.0 105.828 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -137.11 162.06 34.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 127.113 2.165 . . . . 0.0 106.44 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -60.04 -37.15 78.94 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -67.72 -43.52 79.8 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.94 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -66.44 -42.45 87.66 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.768 0.713 . . . . 0.0 109.451 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.6 -47.22 91.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.226 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.57 83.86 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 119.007 0.821 . . . . 0.0 110.606 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.13 -54.28 46.49 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.709 0.803 . . . . 0.0 111.476 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -72.75 -41.79 64.73 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 124.591 1.157 . . . . 0.0 113.963 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.1 p -73.77 -31.03 63.11 Favored 'General case' 0 C--N 1.333 -0.141 0 O-C-N 121.466 -0.771 . . . . 0.0 111.534 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.04 -4.41 62.8 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.0 mt -76.87 -174.04 2.91 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.902 1.681 . . . . 0.0 109.655 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -105.08 149.89 25.46 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 m -59.55 -34.43 72.67 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.452 1.101 . . . . 0.0 109.634 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.18 -50.94 54.36 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.6 m -51.9 -55.58 19.3 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.712 2.005 . . . . 0.0 112.935 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.0 mt -54.06 -55.87 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 123.57 0.748 . . . . 0.0 112.763 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -64.06 -32.11 73.54 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.883 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t -70.31 -31.72 69.16 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.686 0.675 . . . . 0.0 109.455 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -66.94 -53.05 35.63 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.9 mt -62.16 -42.66 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 123.353 0.661 . . . . 0.0 111.355 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -72.78 -3.54 25.96 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.565 0.62 . . . . 0.0 110.849 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 53.93 52.41 12.97 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 126.979 2.111 . . . . 0.0 108.627 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -127.51 -15.5 5.04 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 126.55 1.94 . . . . 0.0 111.724 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -70.55 142.6 51.76 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -142.38 84.02 1.85 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.03 88.76 0.07 OUTLIER Glycine 0 C--N 1.33 0.2 0 O-C-N 121.188 -0.945 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 60.29 53.68 4.27 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.962 1.305 . . . . 0.0 110.201 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.78 -31.71 72.52 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 124.475 1.11 . . . . 0.0 110.854 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -65.1 -35.64 81.77 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.93 0.872 . . . . 0.0 109.945 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -67.54 -35.53 79.24 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.43 -51.71 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 117.816 -1.088 . . . . 0.0 108.064 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.0 p -54.59 -45.14 73.54 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-N 119.798 1.181 . . . . 0.0 111.021 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -60.45 -36.34 77.99 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.597 0.635 . . . . 0.0 111.476 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -70.5 -39.62 74.04 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.98 -38.38 88.4 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 118.545 -0.74 . . . . 0.0 109.353 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -53.92 51.42 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 124.184 0.994 . . . . 0.0 110.351 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.28 -32.75 62.64 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -78.2 -48.69 15.28 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.99 -36.25 78.95 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.322 1.049 . . . . 0.0 111.252 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -55.48 -44.22 76.29 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.023 1.329 . . . . 0.0 110.061 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -82.72 -31.57 28.42 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.269 -0.895 . . . . 0.0 111.528 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -62.66 1.32 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.1 0.56 . . . . 0.0 109.989 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -74.9 -29.96 61.14 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.171 1.389 . . . . 0.0 111.977 -179.633 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.726 0 N-CA-C 112.243 -0.343 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -61.6 128.47 24.75 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 124.048 3.165 . . . . 0.0 108.739 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 ptm -148.8 149.57 31.57 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -86.52 169.59 12.67 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 mt -53.08 -41.9 43.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 118.488 0.586 . . . . 0.0 109.961 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.9 p -56.52 -29.35 61.77 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.264 1.025 . . . . 0.0 113.374 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -81.65 -32.63 31.79 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 123.875 0.87 . . . . 0.0 111.723 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.6 mt -63.86 -60.84 2.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 124.167 0.987 . . . . 0.0 108.383 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.1 ptt85 -60.27 -34.63 74.0 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.32 -14.53 61.0 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 117.948 -1.025 . . . . 0.0 113.516 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.03 -48.83 3.01 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.4 mt -52.76 -34.62 53.85 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.68 1.192 . . . . 0.0 112.918 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -61.16 -44.21 97.66 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.729 0.412 . . . . 0.0 109.897 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -62.82 -39.37 94.08 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.879 1.272 . . . . 0.0 108.858 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -51.77 68.3 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.077 1.351 . . . . 0.0 110.32 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.89 -30.6 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 O-C-N 121.911 -0.493 . . . . 0.0 112.051 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.2 -36.36 79.68 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 121.357 -0.839 . . . . 0.0 110.787 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -97.21 8.81 43.79 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.199 1.4 . . . . 0.0 111.692 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 56.57 24.1 8.37 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.346 1.858 . . . . 0.0 112.372 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.96 -29.72 67.37 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 125.52 1.528 . . . . 0.0 110.184 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -163.29 -179.72 6.79 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.619 1.567 . . . . 0.0 106.866 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.2 m -138.4 159.55 41.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -52.44 -38.43 59.18 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.226 0.61 . . . . 0.0 111.177 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.04 -52.57 64.73 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 123.985 0.914 . . . . 0.0 110.42 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -64.81 -52.26 57.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 117.401 -1.285 . . . . 0.0 109.192 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.7 mt -51.27 -45.46 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 120.359 1.436 . . . . 0.0 109.478 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.23 -45.54 84.25 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.376 1.07 . . . . 0.0 111.617 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.84 -41.02 99.18 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.922 0.489 . . . . 0.0 110.211 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.05 -39.93 87.0 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.626 1.571 . . . . 0.0 111.992 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.9 p -93.86 -8.04 41.5 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.3 5.34 62.56 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.862 1.22 . . . . 0.0 111.043 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.9 mt -82.16 171.94 13.74 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.089 1.444 . . . . 0.0 108.677 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.97 145.57 27.06 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.7 p -61.12 -35.01 75.88 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.309 -0.869 . . . . 0.0 113.088 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.41 -21.18 79.21 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-N 119.14 0.882 . . . . 0.0 112.6 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.9 m -70.21 -53.83 15.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 118.107 0.953 . . . . 0.0 109.898 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.2 mt -54.29 -51.8 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 C-N-CA 124.166 0.986 . . . . 0.0 110.833 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.4 p -60.47 -39.29 87.09 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 111.527 0.195 . . . . 0.0 111.527 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 t -67.55 -43.83 79.77 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.61 0.364 . . . . 0.0 110.268 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.1 -48.44 76.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 126.126 1.77 . . . . 0.0 109.136 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.5 -32.91 52.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 124.582 1.153 . . . . 0.0 111.535 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -88.16 1.79 53.6 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.642 1.177 . . . . 0.0 112.129 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.94 35.32 16.32 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 128.489 2.716 . . . . 0.0 110.924 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -120.86 5.31 10.46 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.15 1.38 . . . . 0.0 114.072 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -70.16 98.76 1.39 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 120.458 1.481 . . . . 0.0 108.589 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -79.46 71.09 6.01 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.9 -165.17 18.33 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 125.414 1.483 . . . . 0.0 109.595 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -71.56 87.97 0.92 Allowed 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.205 1.402 . . . . 0.0 109.179 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -70.81 -31.35 68.07 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 117.031 -1.461 . . . . 0.0 111.319 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -59.33 -35.08 73.18 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 119.313 0.961 . . . . 0.0 110.318 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -74.09 -45.37 49.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 82.5 t -61.34 -49.94 82.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.062 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.7 p -54.32 -54.01 46.15 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.113 0.965 . . . . 0.0 108.523 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -56.18 -40.47 74.01 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 117.541 -1.219 . . . . 0.0 112.637 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.6 m -69.77 -38.36 76.71 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 120.144 1.338 . . . . 0.0 109.27 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.75 -32.03 72.36 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 117.651 -1.166 . . . . 0.0 109.836 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -61.01 -51.77 67.82 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.759 1.163 . . . . 0.0 109.589 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -56.82 -46.16 81.83 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -60.94 -47.28 87.17 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.647 0.379 . . . . 0.0 110.197 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.99 -35.97 82.44 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.029 1.331 . . . . 0.0 111.811 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -60.93 -40.49 93.4 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -78.38 -37.83 43.24 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 119.179 0.899 . . . . 0.0 110.147 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.44 -49.0 77.65 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 119.03 0.832 . . . . 0.0 110.685 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -75.58 0.26 18.03 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.203 0 CA-C-N 120.754 1.615 . . . . 0.0 109.932 -179.244 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.75 0 CA-C-O 118.645 -1.086 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -75.36 7.98 2.76 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 124.168 3.245 . . . . 0.0 114.807 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 ptm -59.0 138.33 57.56 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.927 1.239 . . . . 0.0 108.842 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -72.49 165.25 25.0 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' A' ' 6' ' ' ILE . 8.3 mt -52.7 -39.03 29.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 124.244 1.018 . . . . 0.0 109.423 178.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 t -60.52 -35.53 76.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.639 1.176 . . . . 0.0 110.881 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -72.58 -33.25 66.62 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 120.843 -1.16 . . . . 0.0 110.58 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 3' ' ' ILE . 57.9 mt -59.17 -54.83 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -59.93 -41.8 92.56 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.656 -0.418 . . . . 0.0 109.945 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.18 -13.83 51.18 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.863 1.265 . . . . 0.0 113.498 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.72 -52.78 1.76 Allowed Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 107.027 -2.429 . . . . 0.0 107.027 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.434 HD11 HD13 ' A' ' 54' ' ' LEU . 40.4 mt -52.94 -35.53 58.74 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.447 1.099 . . . . 0.0 112.143 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -57.11 -46.95 82.19 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.7 m -57.95 -45.13 87.13 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.047 0.939 . . . . 0.0 110.014 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.74 -45.59 93.71 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.887 0.875 . . . . 0.0 111.198 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.4 m -77.75 -34.24 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 119.684 1.129 . . . . 0.0 112.092 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.88 -32.46 74.18 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 121.078 -1.014 . . . . 0.0 112.356 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -99.45 14.83 28.44 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.735 0.698 . . . . 0.0 111.402 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 52.8 38.8 27.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.386 1.474 . . . . 0.0 110.434 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.95 -44.14 41.37 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -151.91 144.65 24.32 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.3 p -88.74 165.42 14.73 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.91 0.386 . . . . 0.0 110.202 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -57.12 -37.48 72.03 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -63.0 -53.28 56.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.3 1.04 . . . . 0.0 109.562 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -59.64 -45.2 92.69 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.543 -0.741 . . . . 0.0 111.343 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.59 -45.65 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.29 97.47 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 121.369 -0.832 . . . . 0.0 111.309 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -59.15 -43.95 92.07 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 124.662 1.185 . . . . 0.0 110.054 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -76.75 -44.61 32.42 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.406 1.083 . . . . 0.0 112.88 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.7 p -78.24 -12.88 60.03 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.81 2.39 81.32 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 121.203 -0.935 . . . . 0.0 111.325 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.7 mt -85.24 -175.3 5.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.6 t -104.78 153.11 21.74 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.6 p -58.79 -42.11 88.3 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.43 -53.01 49.74 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-O 117.95 -1.472 . . . . 0.0 109.459 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.6 m -45.89 -55.34 6.83 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 124.963 1.305 . . . . 0.0 110.601 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.2 mt -55.65 -57.18 8.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 C-N-CA 124.131 0.972 . . . . 0.0 110.959 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 p -56.97 -37.48 71.66 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -44.0 68.07 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.077 1.351 . . . . 0.0 110.669 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.62 -38.46 81.38 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 126.311 1.844 . . . . 0.0 109.953 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.77 -52.02 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 C-N-CA 124.853 1.261 . . . . 0.0 108.485 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -71.85 13.51 0.28 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 61.52 15.46 6.74 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.377 -1.452 . . . . 0.0 112.936 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -93.73 -23.52 18.18 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 120.5 -1.375 . . . . 0.0 113.034 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.4 ' CE2' HG21 ' A' ' 50' ' ' VAL . 34.5 t80 -64.92 145.71 55.94 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 120.095 1.316 . . . . 0.0 109.124 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -150.59 146.06 26.3 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.531 1.132 . . . . 0.0 108.058 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.52 -97.37 0.29 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 107.261 -2.336 . . . . 0.0 107.261 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -125.06 66.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.938 1.695 . . . . 0.0 109.857 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -54.34 -32.11 55.98 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 114.36 -1.291 . . . . 0.0 110.83 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -66.11 -34.53 78.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.312 1.845 . . . . 0.0 110.624 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -75.23 -39.89 59.53 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 119.418 -2.052 . . . . 0.0 108.325 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.4 HG21 ' CE2' ' A' ' 43' ' ' TYR . 79.4 t -64.3 -47.78 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 81.5 p -57.71 -50.1 74.32 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -58.39 -39.25 79.15 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.42 0.688 . . . . 0.0 111.622 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.1 m -65.2 -38.79 91.56 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.434 HD13 HD11 ' A' ' 10' ' ' LEU . 84.2 mt -69.03 -44.04 73.51 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.31 -0.853 . . . . 0.0 108.821 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.36 -47.38 66.15 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 124.098 0.959 . . . . 0.0 111.502 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -61.27 -42.97 99.53 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 118.76 0.709 . . . . 0.0 111.584 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -63.47 -49.73 72.47 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.808 0.843 . . . . 0.0 109.303 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -36.44 75.2 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 126.296 1.839 . . . . 0.0 112.303 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.58 -43.9 95.65 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.514 1.126 . . . . 0.0 110.558 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -31.13 57.28 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.72 1.145 . . . . 0.0 109.466 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -58.12 9.18 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 118.726 -0.654 . . . . 0.0 110.107 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -82.59 9.93 8.42 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.144 0 O-C-N 120.358 -1.464 . . . . 0.0 107.398 179.353 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.376 0 N-CA-C 107.638 -2.185 . . . . 0.0 107.638 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -72.15 171.62 16.43 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.19 1.926 . . . . 0.0 108.728 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 mtm -129.5 146.73 51.3 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 122.991 0.516 . . . . 0.0 109.953 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -78.3 167.89 20.67 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.6 mm -52.54 -44.89 46.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 124.071 0.948 . . . . 0.0 110.373 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.1 t -60.99 -45.09 96.19 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 119.144 -0.455 . . . . 0.0 110.327 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.33 -42.18 98.94 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.628 0.771 . . . . 0.0 110.671 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.83 -57.13 10.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 C-N-CA 125.526 1.53 . . . . 0.0 107.055 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -67.61 -31.28 71.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.272 0.942 . . . . 0.0 112.29 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.84 -40.28 75.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 119.028 0.831 . . . . 0.0 110.973 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.17 -46.65 78.27 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.2 mt -56.96 -46.93 81.79 Favored 'General case' 0 CA--C 1.516 -0.327 0 O-C-N 121.905 -0.762 . . . . 0.0 112.313 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.23 -40.6 94.64 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.765 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -65.23 -42.77 93.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 119.161 0.892 . . . . 0.0 109.644 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.499 ' HB3' HG22 ' A' ' 19' ' ' THR . 90.3 mt -60.91 -46.85 89.03 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.702 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -75.23 -30.68 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 120.603 1.547 . . . . 0.0 112.176 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -67.77 -23.01 65.17 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.746 0.818 . . . . 0.0 111.852 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -108.8 11.38 26.29 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 125.803 1.641 . . . . 0.0 110.91 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 60.66 14.88 5.31 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.13 1.772 . . . . 0.0 113.503 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.9 -23.48 67.24 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.026 1.33 . . . . 0.0 111.686 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 13' ' ' LEU . 4.8 t -153.03 -175.62 5.41 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.947 2.099 . . . . 0.0 108.471 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.4 m -147.84 152.45 37.66 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -52.61 -41.81 64.03 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.336 0.971 . . . . 0.0 112.235 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -64.57 -37.8 88.79 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-O 118.988 -0.53 . . . . 0.0 110.931 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -67.13 -48.32 68.41 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.3 mt -55.49 -46.58 78.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.6 84.85 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.126 0.876 . . . . 0.0 111.918 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.76 -46.97 87.54 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.653 0.781 . . . . 0.0 112.194 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -74.8 -44.41 49.59 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.616 0.766 . . . . 0.0 112.083 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.8 p -73.0 -31.7 64.66 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.229 -0.919 . . . . 0.0 112.065 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.1 0.63 80.45 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 125.829 1.68 . . . . 0.0 110.666 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.4 mt -88.71 167.82 13.01 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.729 1.265 . . . . 0.0 108.551 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -76.19 154.31 35.44 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.4 p -61.04 -36.36 79.35 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.85 -46.32 93.85 Favored Glycine 0 C--N 1.339 0.744 0 CA-C-O 118.316 -1.269 . . . . 0.0 110.759 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.7 m -52.2 -52.2 53.61 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.323 1.049 . . . . 0.0 110.276 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.7 mt -54.2 -56.93 7.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 124.014 0.926 . . . . 0.0 110.12 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 p -57.67 -39.9 78.16 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -46.35 80.31 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 122.999 0.519 . . . . 0.0 111.494 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.8 -44.66 86.45 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.927 1.291 . . . . 0.0 109.958 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.7 mt -65.09 -45.7 93.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -75.55 0.62 16.71 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t70 60.36 30.28 19.68 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.787 1.176 . . . . 0.0 109.768 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -117.68 4.75 12.31 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.284 1.834 . . . . 0.0 113.353 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -63.06 155.54 27.45 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.251 0.932 . . . . 0.0 110.258 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -56.06 -50.91 69.65 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.381 1.073 . . . . 0.0 113.204 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.88 -177.75 32.8 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 61.04 38.88 16.93 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 123.154 1.454 . . . . 0.0 108.565 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -53.47 -31.2 44.66 Favored 'General case' 0 C--N 1.339 0.119 0 C-N-CA 127.304 2.241 . . . . 0.0 112.418 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -59.99 -34.14 72.91 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -68.97 -34.51 75.43 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.376 -1.452 . . . . 0.0 109.083 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.16 -52.97 25.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 124.353 1.061 . . . . 0.0 109.637 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.3 p -51.8 -50.41 60.82 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.475 1.11 . . . . 0.0 111.544 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -61.3 -29.55 69.94 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.725 0.81 . . . . 0.0 112.351 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.5 m -79.72 -37.91 34.54 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.6 mt -73.23 -31.25 64.03 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.973 1.309 . . . . 0.0 110.539 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -58.92 6.53 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.795 1.238 . . . . 0.0 108.46 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -55.78 -39.99 72.04 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 118.988 -0.529 . . . . 0.0 111.862 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -62.85 -48.28 79.74 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 123.926 0.766 . . . . 0.0 110.685 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -39.76 78.35 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.22 -41.68 89.22 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.431 0.457 . . . . 0.0 109.786 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -31.41 61.76 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-O 119.138 -0.458 . . . . 0.0 110.193 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -48.74 80.49 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -74.22 8.54 2.1 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.49 0.716 . . . . 0.0 112.708 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 C-N-CA 126.028 1.731 . . . . 0.0 107.006 179.366 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.713 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -73.47 115.54 4.37 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 122.226 1.951 . . . . 0.0 108.457 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptm -64.39 145.76 55.54 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -75.5 162.09 28.62 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 118.975 -1.09 . . . . 0.0 108.703 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 mt -58.53 -32.82 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.662 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.1 m -62.6 -34.75 77.65 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.295 1.038 . . . . 0.0 109.903 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -71.84 -42.4 66.99 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 119.66 1.118 . . . . 0.0 109.676 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -52.03 -56.61 5.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 C-N-CA 124.247 1.019 . . . . 0.0 108.853 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 ptt-85 -67.67 -31.61 71.71 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 118.42 -0.8 . . . . 0.0 111.972 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.77 88.89 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 119.149 0.886 . . . . 0.0 111.431 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.57 93.65 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.3 -34.12 75.99 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.742 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -57.93 -50.76 72.24 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -54.2 -47.57 71.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.0 1.32 . . . . 0.0 109.919 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.21 -49.14 74.94 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.419 0.688 . . . . 0.0 111.373 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -77.64 -32.39 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 118.184 -0.913 . . . . 0.0 113.26 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.23 -33.55 76.07 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.216 1.406 . . . . 0.0 109.51 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -97.75 11.38 37.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.4 1.08 . . . . 0.0 110.363 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 47.3 29.68 1.31 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.32 2.248 . . . . 0.0 113.532 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -59.57 -36.52 76.38 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.943 1.697 . . . . 0.0 108.021 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 t -153.99 175.6 13.19 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 125.425 1.49 . . . . 0.0 107.852 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.96 153.52 37.17 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.145 1.778 . . . . 0.0 106.774 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -52.12 -39.25 59.58 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.707 1.139 . . . . 0.0 112.631 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -50.98 67.64 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.045 0.938 . . . . 0.0 111.405 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -63.48 -38.84 92.68 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.993 -0.527 . . . . 0.0 109.92 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 69.7 mt -58.99 -46.05 91.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.449 ' HA ' HD11 ' A' ' 35' ' ' ILE . . . -60.67 -49.36 77.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.287 0.949 . . . . 0.0 111.399 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.9 tp -54.4 -51.22 65.55 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.221 1.008 . . . . 0.0 111.21 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -79.9 -23.03 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.4 p -93.03 -21.08 19.95 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.676 1.126 . . . . 0.0 112.207 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.54 -0.92 78.21 Favored Glycine 0 CA--C 1.536 1.402 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.0 mt -89.17 -172.68 3.75 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.531 1.532 . . . . 0.0 107.187 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 t -115.81 148.86 39.42 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -50.92 61.85 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.458 1.503 . . . . 0.0 110.42 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.6 -38.44 87.67 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 119.151 -0.805 . . . . 0.0 111.963 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.3 m -67.3 -54.33 21.73 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.595 1.158 . . . . 0.0 109.756 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.449 HD11 ' HA ' ' A' ' 25' ' ' ALA . 27.9 mt -54.02 -54.28 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.118 0.967 . . . . 0.0 109.611 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -54.79 -44.17 73.51 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 123.962 0.905 . . . . 0.0 110.071 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -69.81 -37.73 76.36 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.358 0.526 . . . . 0.0 111.517 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -61.99 -45.77 92.17 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.78 -47.88 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -70.38 1.05 5.42 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.625 1.17 . . . . 0.0 112.135 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.06 -1.64 1.38 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 127.129 2.172 . . . . 0.0 112.148 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -71.89 -25.44 61.93 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 127.824 2.449 . . . . 0.0 115.121 -177.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -63.76 149.09 47.57 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -153.96 97.4 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.89 92.94 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 49.05 47.38 21.92 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.748 1.219 . . . . 0.0 110.04 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -55.76 -31.46 62.59 Favored 'General case' 0 C--O 1.23 0.054 0 C-N-CA 124.188 0.995 . . . . 0.0 113.497 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.8 -36.75 84.94 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.406 1.003 . . . . 0.0 109.628 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -63.21 -37.92 89.13 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.4 t -65.02 -52.65 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 117.362 -1.304 . . . . 0.0 108.11 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.4 p -54.81 -51.99 64.09 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 120.044 1.293 . . . . 0.0 110.234 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -55.76 -40.23 72.29 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.004 0.922 . . . . 0.0 111.488 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.0 m -68.66 -37.66 79.81 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.524 0.602 . . . . 0.0 110.084 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.5 mt -67.13 -36.32 81.64 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 118.267 -0.873 . . . . 0.0 109.168 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -57.7 -50.33 73.56 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 123.304 0.642 . . . . 0.0 109.697 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -58.51 -44.14 89.36 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 122.349 0.26 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -64.09 -45.7 87.55 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 118.688 -0.672 . . . . 0.0 109.499 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.61 -37.22 85.41 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 123.932 0.893 . . . . 0.0 110.823 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.91 -42.27 98.89 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.749 0.82 . . . . 0.0 108.834 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -72.94 -30.41 63.84 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.339 -0.851 . . . . 0.0 110.712 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -61.63 1.82 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.735 1.214 . . . . 0.0 113.2 -179.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -67.22 -14.82 63.27 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 117.329 2.344 . . . . 0.0 117.329 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.954 0 CA-C-N 120.798 1.635 . . . . 0.0 111.09 -179.359 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.864 0 CA-C-O 119.219 -0.767 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -53.53 108.96 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 124.411 3.407 . . . . 0.0 112.61 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.5 mtp -63.44 133.1 53.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 127.145 2.178 . . . . 0.0 110.414 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.6 p-10 -77.33 168.52 19.9 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.4 mt -49.84 -40.84 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 124.668 1.187 . . . . 0.0 112.005 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 m -65.51 -41.99 92.55 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.158 0.583 . . . . 0.0 112.484 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -74.15 -38.08 63.84 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.247 0.93 . . . . 0.0 109.426 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -51.7 -55.29 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 ptt-85 -67.73 -27.23 66.62 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 118.413 -0.803 . . . . 0.0 112.18 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.46 -30.35 69.61 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.205 0.912 . . . . 0.0 111.587 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.81 -42.9 19.55 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.4 mt -58.6 -42.79 88.95 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 118.314 -0.851 . . . . 0.0 112.911 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -55.72 -44.09 77.14 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 124.124 0.89 . . . . 0.0 109.333 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -57.92 -48.43 79.92 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.35 0.977 . . . . 0.0 110.516 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.37 -46.88 85.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.978 0.911 . . . . 0.0 111.497 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.63 -32.4 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 121.06 -1.025 . . . . 0.0 112.245 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.33 -24.79 67.36 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.875 1.27 . . . . 0.0 111.935 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -109.21 10.92 25.72 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.646 0.778 . . . . 0.0 111.871 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 56.31 24.03 7.85 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.637 1.975 . . . . 0.0 112.655 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.26 -22.52 66.92 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 126.577 1.951 . . . . 0.0 113.057 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -157.82 -166.57 2.02 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 127.8 2.44 . . . . 0.0 105.263 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 m -144.64 151.86 39.61 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 120.403 -1.436 . . . . 0.0 107.581 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -52.53 -34.42 49.82 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.567 1.076 . . . . 0.0 112.432 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -62.84 -47.0 85.29 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 118.215 0.461 . . . . 0.0 111.316 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.63 -43.71 88.68 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.024 -0.989 . . . . 0.0 108.945 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 54.6 mt -56.8 -47.56 82.61 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.2 71.03 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.392 1.077 . . . . 0.0 111.276 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.27 -42.26 95.03 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.951 1.3 . . . . 0.0 112.709 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.29 -43.63 50.06 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.071 1.348 . . . . 0.0 111.835 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.8 p -73.52 -36.08 65.67 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.33 -0.856 . . . . 0.0 111.516 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.25 16.95 38.66 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 125.651 1.596 . . . . 0.0 110.206 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.7 mt -104.73 167.17 9.89 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 126.277 1.831 . . . . 0.0 107.578 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 p -88.05 155.29 19.88 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.2 p -59.36 -31.42 69.18 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.026 -1.046 . . . . 0.0 111.954 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.63 -40.68 58.6 Favored Glycine 0 C--N 1.338 0.681 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.1 m -57.65 -52.46 65.32 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 117.726 0.763 . . . . 0.0 110.633 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -56.68 -49.19 79.08 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 C-N-CA 123.31 0.644 . . . . 0.0 109.574 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.3 t -59.24 -44.47 92.35 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.537 0.608 . . . . 0.0 110.978 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -67.66 -30.16 69.63 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.468 -0.77 . . . . 0.0 110.494 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -70.64 -48.63 53.98 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.01 -41.87 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -73.29 -3.81 29.28 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.565 0.746 . . . . 0.0 110.592 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 t70 58.67 19.88 7.21 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.258 2.623 . . . . 0.0 113.101 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -85.12 -27.96 25.89 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 126.377 1.871 . . . . 0.0 112.539 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -60.23 140.58 56.93 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -144.66 108.09 4.61 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.99 92.58 2.19 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-O 118.343 -1.254 . . . . 0.0 110.523 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 107.22 17.63 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 130.591 3.556 . . . . 0.0 110.651 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -55.01 -33.98 63.08 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.345 1.058 . . . . 0.0 110.934 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -68.47 -45.14 73.22 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.947 0.794 . . . . 0.0 109.421 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.3 ttt85 -56.36 -51.2 69.17 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.266 0.626 . . . . 0.0 109.593 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.9 t -62.4 -52.81 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 123.201 0.6 . . . . 0.0 109.947 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.5 p -57.99 -43.29 86.47 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.912 0.778 . . . . 0.0 112.158 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -64.3 -29.07 70.16 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.907 1.23 . . . . 0.0 111.119 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.2 m -74.8 -39.81 61.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.4 mt -71.43 -31.23 66.97 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.731 0.812 . . . . 0.0 109.982 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -58.74 -57.49 12.79 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 124.575 1.15 . . . . 0.0 108.822 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 mtp85 -55.75 -45.11 78.13 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 123.339 0.399 . . . . 0.0 111.113 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.441 ' CZ2' ' CE1' ' A' ' 61' ' ' TYR . 86.0 t90 -58.09 -48.36 80.39 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.603 0.761 . . . . 0.0 111.233 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -37.23 72.74 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.286 1.034 . . . . 0.0 112.131 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.87 -50.19 73.23 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -30.29 70.44 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.343 0.657 . . . . 0.0 111.042 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.441 ' CE1' ' CZ2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -59.6 -31.86 69.87 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.265 -0.897 . . . . 0.0 109.474 178.725 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -111.47 7.93 20.93 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.334 1.854 . . . . 0.0 113.331 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.793 0 CA-C-N 120.098 1.317 . . . . 0.0 109.062 179.792 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.76 0 N-CA-C 109.671 -1.371 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.13 166.65 24.29 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 CA-C-N 119.399 1.599 . . . . 0.0 109.875 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptp -159.64 -171.13 3.16 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.869 1.267 . . . . 0.0 109.647 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -147.36 174.12 11.96 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.5 1.52 . . . . 0.0 109.002 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.4 mt -49.24 -43.53 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.984 1.314 . . . . 0.0 112.691 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -29.0 70.33 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.93 -47.65 36.16 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.362 1.065 . . . . 0.0 108.692 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.0 mt -50.89 -60.53 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 126.127 1.771 . . . . 0.0 108.25 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -64.17 -26.0 68.33 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 118.371 -0.823 . . . . 0.0 112.931 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.63 -20.53 61.96 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.339 0.972 . . . . 0.0 112.098 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.39 -47.18 3.85 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.2 mt -57.76 -34.72 69.85 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.576 -0.955 . . . . 0.0 113.177 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -59.71 -45.35 92.41 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.508 0.595 . . . . 0.0 109.675 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 m -64.22 -42.59 96.5 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.124 1.369 . . . . 0.0 109.014 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -46.77 83.94 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.796 0.838 . . . . 0.0 111.791 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.63 -37.47 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 C-N-CA 118.66 -1.216 . . . . 0.0 111.228 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -63.88 -32.71 74.32 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.31 0.644 . . . . 0.0 110.87 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -92.31 4.8 52.59 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.227 1.011 . . . . 0.0 111.171 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 52.74 33.95 15.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.29 1.036 . . . . 0.0 111.279 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.78 -18.25 64.8 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.79 1.236 . . . . 0.0 109.686 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 t -171.28 -168.21 0.61 Allowed 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 128.925 2.89 . . . . 0.0 106.363 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.5 p -135.56 160.3 38.92 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.885 1.674 . . . . 0.0 107.202 177.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -53.59 -36.22 61.7 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 122.067 -0.396 . . . . 0.0 110.515 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' HA ' HG22 ' A' ' 32' ' ' THR . 36.6 ttmt -68.67 -49.68 57.09 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 117.923 -1.037 . . . . 0.0 111.021 179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -60.24 -38.22 82.78 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.109 0.868 . . . . 0.0 110.399 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.8 mt -62.66 -47.4 93.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.25 79.89 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.569 0.747 . . . . 0.0 111.472 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.52 -56.64 17.82 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.935 1.294 . . . . 0.0 109.295 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.48 -45.15 84.8 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.836 1.254 . . . . 0.0 113.909 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.2 p -77.69 -19.91 54.54 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.58 -3.11 87.31 Favored Glycine 0 CA--C 1.538 1.474 0 O-C-N 121.234 -0.916 . . . . 0.0 110.921 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.4 mt -82.9 178.27 8.24 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 119.137 1.469 . . . . 0.0 110.023 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 t -91.98 150.2 21.13 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 22' ' ' LYS . 71.8 p -60.18 -42.93 96.06 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 122.885 0.474 . . . . 0.0 110.467 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.77 -36.15 86.68 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 124.138 0.875 . . . . 0.0 111.586 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.2 m -60.57 -49.26 78.27 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 117.734 0.767 . . . . 0.0 110.187 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.1 mt -54.59 -52.17 43.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 118.657 0.662 . . . . 0.0 110.173 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.0 p -61.25 -44.84 96.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.991 -0.528 . . . . 0.0 111.895 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 t -62.37 -36.4 82.16 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.253 0.621 . . . . 0.0 110.61 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -66.53 -51.02 61.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 121.282 -0.886 . . . . 0.0 109.587 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.47 -42.06 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 123.771 0.828 . . . . 0.0 109.821 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -70.09 -10.08 57.56 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.787 1.235 . . . . 0.0 111.427 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.9 t70 59.99 47.9 9.29 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 128.183 2.593 . . . . 0.0 110.768 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -131.98 -1.97 3.67 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.548 1.939 . . . . 0.0 113.128 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -61.11 135.6 57.81 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 119.5 1.045 . . . . 0.0 111.225 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -113.48 110.18 19.87 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 125.279 1.432 . . . . 0.0 107.223 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 153.58 -145.81 13.54 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 108.66 -1.776 . . . . 0.0 108.66 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -85.36 77.51 9.93 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -53.93 -32.76 54.7 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.693 -0.629 . . . . 0.0 110.085 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.69 -41.67 87.68 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.013 1.325 . . . . 0.0 110.745 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -55.93 -51.92 65.93 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.9 t -58.78 -53.48 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 O-C-N 124.643 1.214 . . . . 0.0 109.193 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -52.09 -54.35 31.34 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.497 1.119 . . . . 0.0 111.313 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -60.36 -37.46 80.78 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.903 -0.498 . . . . 0.0 111.662 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.7 m -68.48 -30.3 69.11 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.385 -0.822 . . . . 0.0 109.894 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.5 mt -76.38 -37.54 57.04 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-O 118.056 -0.973 . . . . 0.0 108.672 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -50.95 -51.84 48.4 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.255 1.022 . . . . 0.0 110.372 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 mmm-85 -56.95 -48.78 77.51 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 123.495 0.718 . . . . 0.0 110.82 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.42 ' CZ2' ' CE1' ' A' ' 61' ' ' TYR . 85.8 t90 -63.6 -44.08 95.02 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 119.543 -0.265 . . . . 0.0 110.834 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.86 -35.39 79.84 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 120.978 -1.076 . . . . 0.0 110.625 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.86 -46.28 88.62 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.318 0.647 . . . . 0.0 109.892 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -31.24 70.97 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.291 0.95 . . . . 0.0 110.102 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.42 ' CE1' ' CZ2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -72.31 -65.66 0.75 Allowed 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -179.442 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -79.21 -3.45 45.8 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 117.582 2.438 . . . . 0.0 117.582 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.413 0 CA-C-N 123.664 2.938 . . . . 0.0 113.151 -178.936 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.619 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -80.47 178.23 7.28 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 123.85 3.033 . . . . 0.0 111.577 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptm -157.26 160.43 38.61 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 126.046 1.738 . . . . 0.0 108.965 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -108.23 172.63 6.73 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.579 1.152 . . . . 0.0 111.36 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.8 mt -45.54 -48.89 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.626 1.571 . . . . 0.0 113.491 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.5 t -59.94 -38.75 83.31 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.779 0.832 . . . . 0.0 110.873 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.22 -40.86 64.37 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.768 -0.582 . . . . 0.0 109.982 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.09 -57.05 13.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 C-N-CA 124.989 1.316 . . . . 0.0 107.493 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -60.76 -37.77 82.96 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.645 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -36.49 75.78 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-O 118.0 -1.0 . . . . 0.0 111.194 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.04 -44.27 91.78 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.125 -1.59 . . . . 0.0 109.125 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.6 mt -57.26 -34.62 68.82 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.676 -0.897 . . . . 0.0 113.184 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -50.39 -50.33 51.95 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.576 1.15 . . . . 0.0 111.268 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.94 -46.55 88.84 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.055 0.942 . . . . 0.0 110.741 -178.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.92 -41.14 82.05 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.08 0.952 . . . . 0.0 111.354 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.7 m -81.96 -26.68 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 119.794 1.179 . . . . 0.0 111.647 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.46 -39.94 70.62 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 124.384 1.074 . . . . 0.0 111.679 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -88.56 7.36 33.58 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 54.67 29.29 11.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.953 2.501 . . . . 0.0 111.758 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.5 -26.54 67.97 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.144 1.377 . . . . 0.0 110.073 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.4 t -159.88 175.53 12.97 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.009 1.724 . . . . 0.0 108.788 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.1 m -135.25 158.85 43.32 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.208 1.803 . . . . 0.0 107.054 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -52.35 -30.69 29.87 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.212 -0.93 . . . . 0.0 112.411 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -62.67 -53.58 52.4 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 124.644 1.177 . . . . 0.0 110.473 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.46 -42.67 87.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.416 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.0 mt -60.91 -46.41 96.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.65 -51.75 67.52 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 124.358 1.063 . . . . 0.0 110.644 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -56.96 -38.44 72.96 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -85.99 -38.01 18.37 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 p -76.19 -35.98 58.85 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.108 0.963 . . . . 0.0 110.899 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.36 -3.64 56.64 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 127.02 2.248 . . . . 0.0 110.673 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.5 mt -85.66 167.28 15.46 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 120.089 1.944 . . . . 0.0 111.074 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 t -75.96 144.92 40.72 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.0 p -56.84 -42.55 79.85 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 110.165 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.54 -37.42 89.67 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-O 118.682 -1.066 . . . . 0.0 111.44 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.7 m -62.11 -51.64 67.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 117.695 -1.145 . . . . 0.0 108.956 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.54 -50.09 74.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 119.705 1.139 . . . . 0.0 109.258 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -59.13 -41.73 88.94 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.509 -0.745 . . . . 0.0 111.595 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.68 -41.0 92.95 Favored 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 120.964 -1.085 . . . . 0.0 108.853 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -57.94 -53.32 59.6 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.761 1.225 . . . . 0.0 109.594 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 25.2 mt -58.11 -46.94 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 120.098 1.317 . . . . 0.0 110.574 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.56 1.36 16.98 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 118.511 -0.757 . . . . 0.0 112.848 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.4 t70 55.46 33.08 20.23 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.085 1.754 . . . . 0.0 112.35 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -100.68 -1.45 35.16 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 126.36 1.864 . . . . 0.0 110.711 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -63.17 159.6 17.23 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 118.167 0.44 . . . . 0.0 111.35 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -60.78 -75.21 0.07 Allowed 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.489 1.116 . . . . 0.0 110.63 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.72 -177.82 47.6 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 106.893 -2.483 . . . . 0.0 106.893 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 63.91 34.48 11.61 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.5 -31.26 61.89 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 126.929 2.092 . . . . 0.0 109.083 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -55.07 -41.35 71.39 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.46 1.504 . . . . 0.0 111.472 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -65.7 -38.03 88.09 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.048 -1.658 . . . . 0.0 109.383 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.33 -52.87 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.1 p -59.03 -47.44 85.22 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 119.343 0.974 . . . . 0.0 110.622 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -57.23 -36.3 70.74 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.611 0.764 . . . . 0.0 110.26 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.8 m -72.82 -36.19 67.46 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.78 -34.95 77.78 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 116.379 -1.772 . . . . 0.0 110.378 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -54.0 -47.62 71.26 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 119.682 1.128 . . . . 0.0 110.134 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -57.58 -40.57 79.29 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.623 0.647 . . . . 0.0 112.432 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -73.1 -50.93 20.03 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.959 -0.463 . . . . 0.0 110.427 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.3 -36.07 79.07 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 124.564 1.146 . . . . 0.0 113.553 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -62.03 -48.37 80.56 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.252 0.621 . . . . 0.0 110.214 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -69.7 -30.99 68.77 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 118.379 0.536 . . . . 0.0 110.495 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.27 -59.34 3.81 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 123.305 0.642 . . . . 0.0 110.516 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -77.37 -1.07 28.18 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.217 0 CA-C-N 120.029 1.286 . . . . 0.0 107.747 179.592 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.036 0 CA-C-O 119.644 -0.531 . . . . 0.0 112.166 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -73.76 126.5 10.8 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.252 2.635 . . . . 0.0 109.909 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 ptm -73.45 146.76 44.75 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -94.69 167.95 11.13 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.392 1.077 . . . . 0.0 110.782 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 mm -47.1 -46.9 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 126.712 2.005 . . . . 0.0 111.69 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.8 p -64.06 -30.86 71.9 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -79.23 -39.92 31.94 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.27 -54.43 32.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 C-N-CA 125.616 1.566 . . . . 0.0 108.133 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -60.14 -39.36 86.05 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.267 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.21 83.24 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.382 1.073 . . . . 0.0 112.261 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.67 97.9 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.427 HD11 HD13 ' A' ' 54' ' ' LEU . 47.8 mt -61.0 -34.27 74.54 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 122.108 -0.643 . . . . 0.0 112.02 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -48.05 81.35 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 118.092 -0.956 . . . . 0.0 108.813 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 m -54.1 -43.39 70.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.485 0.584 . . . . 0.0 111.915 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.94 -54.36 46.98 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.57 0.748 . . . . 0.0 110.285 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.79 -34.53 61.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.345 -0.847 . . . . 0.0 111.939 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.84 -26.56 68.2 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.323 1.449 . . . . 0.0 111.401 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -105.35 8.35 33.69 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.296 1.438 . . . . 0.0 110.934 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 59.47 19.95 8.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.8 2.04 . . . . 0.0 112.749 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -55.9 -42.69 76.4 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 127.752 2.421 . . . . 0.0 113.939 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 t -154.47 143.55 21.11 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 p -79.39 157.63 27.56 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.422 0.63 . . . . 0.0 110.782 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -54.83 -30.91 58.57 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.963 0.905 . . . . 0.0 110.255 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -72.09 -48.85 40.98 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 126.664 1.986 . . . . 0.0 109.713 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -57.84 -44.83 86.78 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 83.0 mt -56.71 -43.33 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.74 -48.24 77.84 Favored 'General case' 0 C--N 1.339 0.112 0 O-C-N 121.323 -0.861 . . . . 0.0 112.141 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -47.16 86.88 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.372 0.606 . . . . 0.0 109.968 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HB2' ' HE1' ' A' ' 57' ' ' TRP . 17.8 mt-10 -70.54 -42.64 70.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.5 p -76.2 -22.48 55.23 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 119.533 1.06 . . . . 0.0 111.713 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.33 -0.74 89.27 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.288 1.423 . . . . 0.0 111.349 -178.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.2 mt -86.75 165.56 15.95 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.7 p -81.63 163.12 22.78 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 119.45 -0.9 . . . . 0.0 108.627 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -46.61 89.53 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 177.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.69 -44.64 69.34 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-O 118.756 -1.025 . . . . 0.0 111.021 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.2 m -53.36 -55.54 24.03 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.231 0.613 . . . . 0.0 111.557 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.4 mt -53.94 -55.22 15.06 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 C-N-CA 124.336 1.054 . . . . 0.0 111.159 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 p -61.72 -41.71 97.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 t -67.35 -37.62 83.53 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -65.52 -47.47 75.85 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.703 1.201 . . . . 0.0 109.11 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.1 mt -63.89 -37.89 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 118.648 0.658 . . . . 0.0 109.949 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -83.72 4.63 27.94 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.879 0.872 . . . . 0.0 111.204 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 61.82 3.05 0.82 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 129.044 2.938 . . . . 0.0 113.01 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -73.08 -15.26 61.5 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.299 1.839 . . . . 0.0 112.821 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -65.96 91.07 0.14 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 119.95 1.25 . . . . 0.0 112.204 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -87.39 70.29 9.94 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.12 -154.51 6.75 Favored Glycine 0 CA--C 1.519 0.322 0 N-CA-C 108.902 -1.679 . . . . 0.0 108.902 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -73.18 66.57 0.88 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.046 1.738 . . . . 0.0 109.863 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -50.68 -42.46 56.84 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.383 1.873 . . . . 0.0 112.45 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -69.28 -35.56 76.17 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.772 0.714 . . . . 0.0 112.2 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -68.28 -41.41 81.05 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 120.451 -1.405 . . . . 0.0 108.035 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.52 -50.64 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.8 p -55.82 -51.39 67.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.108 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -56.71 -39.82 74.55 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 118.956 0.798 . . . . 0.0 111.225 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.9 m -68.01 -30.73 70.05 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.258 0.481 . . . . 0.0 109.915 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.427 HD13 HD11 ' A' ' 10' ' ' LEU . 85.8 mt -77.1 -32.62 56.74 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.272 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -59.06 -55.15 38.76 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 119.067 0.849 . . . . 0.0 109.396 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -58.37 -41.3 84.44 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.721 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.484 ' HE1' ' HB2' ' A' ' 27' ' ' GLU . 89.4 t90 -61.31 -50.4 73.13 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 119.383 -0.341 . . . . 0.0 110.089 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.44 -37.13 85.98 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.757 0.708 . . . . 0.0 111.453 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.55 -36.0 81.6 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.992 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -31.36 69.18 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 121.422 1.919 . . . . 0.0 109.128 178.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.55 -65.85 0.63 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 125.326 1.45 . . . . 0.0 108.65 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -70.08 -23.24 63.03 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.203 0 C-N-CA 126.204 1.802 . . . . 0.0 110.013 -178.484 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.783 0 CA-C-O 118.078 -1.401 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -59.68 159.96 22.63 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.992 2.461 . . . . 0.0 111.419 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptm -156.85 156.52 33.32 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.805 1.242 . . . . 0.0 109.488 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -97.83 178.84 5.0 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.758 -0.589 . . . . 0.0 110.993 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.5 mt -55.39 -44.47 75.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.108 -0.995 . . . . 0.0 112.764 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 t -62.73 -29.03 70.37 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.376 0.535 . . . . 0.0 110.12 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -77.4 -31.22 53.98 Favored 'General case' 0 N--CA 1.458 -0.071 0 O-C-N 120.72 -1.237 . . . . 0.0 111.225 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.51 -57.39 11.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.0 ptt-85 -58.18 -33.26 69.06 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 118.925 -0.559 . . . . 0.0 112.199 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.99 -26.34 64.41 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 118.776 -0.631 . . . . 0.0 112.518 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.56 -50.15 4.11 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -53.39 -37.27 62.3 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -60.26 -43.64 95.97 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 118.365 0.529 . . . . 0.0 109.671 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.6 m -61.52 -44.72 96.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.515 1.126 . . . . 0.0 109.111 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.53 -41.6 81.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.586 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.56 -33.32 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 119.802 1.183 . . . . 0.0 111.643 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -63.25 -26.4 68.77 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.663 0.785 . . . . 0.0 111.693 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -105.57 11.44 32.39 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.273 1.029 . . . . 0.0 109.491 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 50.58 31.49 5.74 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 127.962 2.505 . . . . 0.0 113.079 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.72 -31.23 72.37 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.364 1.466 . . . . 0.0 111.284 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.3 t -160.26 165.3 31.68 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.7 p -104.68 165.34 11.13 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.934 0.873 . . . . 0.0 111.856 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -57.46 -42.36 82.41 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.54 -45.62 89.73 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 117.735 -1.126 . . . . 0.0 110.749 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -62.87 -48.72 77.81 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 117.835 -1.078 . . . . 0.0 109.91 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.8 mt -55.66 -44.8 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 120.063 1.301 . . . . 0.0 108.609 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.99 93.19 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.616 0.766 . . . . 0.0 112.324 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 tp -64.95 -49.01 72.01 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 123.93 0.892 . . . . 0.0 109.29 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.75 -48.01 83.73 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.02 1.328 . . . . 0.0 110.33 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.4 p -79.51 -12.01 59.88 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.526 0.73 . . . . 0.0 112.855 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.39 12.74 73.32 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.37 0.986 . . . . 0.0 111.228 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.7 mt -87.7 166.51 14.61 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.118 1.459 . . . . 0.0 108.832 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.8 132.75 34.38 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 105.655 -1.98 . . . . 0.0 105.655 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.4 p -50.75 -30.12 13.2 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 121.856 2.117 . . . . 0.0 115.909 -176.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.42 -19.03 77.37 Favored Glycine 0 CA--C 1.539 1.545 0 CA-C-N 122.177 2.262 . . . . 0.0 112.708 178.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.1 m -67.81 -56.54 8.79 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.261 1.53 . . . . 0.0 114.351 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.7 mt -52.98 -57.17 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 C-N-CA 129.451 3.101 . . . . 0.0 108.968 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p -56.41 -43.38 79.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.545 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -66.91 -42.2 85.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.483 0.583 . . . . 0.0 110.808 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -60.21 -50.25 74.41 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.781 1.632 . . . . 0.0 108.623 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.2 mt -62.94 -41.16 91.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.808 0.843 . . . . 0.0 109.733 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -79.02 5.48 11.66 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.129 0.972 . . . . 0.0 113.514 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 61.64 31.25 18.72 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.357 1.863 . . . . 0.0 111.735 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -119.08 -2.72 10.72 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 117.316 -1.326 . . . . 0.0 113.079 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -72.38 104.44 3.76 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 120.444 1.475 . . . . 0.0 107.457 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -92.22 90.37 7.27 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 104.192 -2.521 . . . . 0.0 104.192 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.59 -159.48 23.62 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -70.94 68.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 128.379 2.672 . . . . 0.0 111.761 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -57.26 -32.07 66.2 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 121.406 -0.809 . . . . 0.0 109.437 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -62.83 -34.38 77.2 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.396 1.478 . . . . 0.0 111.262 178.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -74.99 -51.28 14.03 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 120.529 -1.357 . . . . 0.0 108.39 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -58.13 -46.62 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 125.714 1.606 . . . . 0.0 111.922 -179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.2 p -52.72 -51.35 60.81 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.052 0.941 . . . . 0.0 110.138 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -61.07 -39.2 89.0 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 118.539 -0.743 . . . . 0.0 112.608 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.7 m -65.59 -41.82 92.37 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.18 -39.35 92.77 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 118.579 -0.724 . . . . 0.0 110.226 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -56.88 -51.57 68.55 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 123.823 0.849 . . . . 0.0 110.95 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -61.73 -34.97 76.75 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 118.444 -0.788 . . . . 0.0 112.847 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -67.45 -52.79 35.26 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 124.439 1.087 . . . . 0.0 108.112 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.47 -46.83 80.22 Favored 'General case' 0 C--O 1.23 0.071 0 C-N-CA 125.336 1.454 . . . . 0.0 113.874 -178.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -59.3 -49.34 78.22 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.269 0.08 . . . . 0.0 110.889 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -31.89 73.21 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 118.646 -0.692 . . . . 0.0 110.005 178.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -62.18 1.82 Allowed 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.686 1.195 . . . . 0.0 110.905 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -75.8 4.94 7.01 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 178.923 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.584 0 N-CA-C 110.516 -1.033 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -73.93 86.23 1.27 Allowed 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 123.968 3.112 . . . . 0.0 109.99 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.1 mtp -44.48 122.12 2.93 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 127.081 2.152 . . . . 0.0 110.247 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -64.61 167.1 7.65 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -43.41 -44.9 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.589 1.955 . . . . 0.0 109.816 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.88 -51.54 63.36 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 128.143 2.577 . . . . 0.0 113.867 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -74.7 -35.29 62.72 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.26 0.624 . . . . 0.0 110.35 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.36 -59.33 4.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.093 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HB2' ' HA ' ' A' ' 39' ' ' ILE . 25.4 ptt85 -57.46 -37.48 72.94 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 117.892 -1.051 . . . . 0.0 113.267 -178.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.99 -46.11 82.47 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 123.628 0.58 . . . . 0.0 111.733 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.72 -42.43 99.39 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.9 mt -59.27 -34.1 71.85 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.577 0.751 . . . . 0.0 112.131 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -61.89 -48.48 80.29 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -62.91 -37.45 87.04 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.315 1.046 . . . . 0.0 110.719 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.47 -47.87 80.01 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.78 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 m -69.64 -31.97 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 118.557 -1.257 . . . . 0.0 110.053 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.66 -33.3 73.73 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.298 0.639 . . . . 0.0 109.895 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -95.78 3.16 54.02 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.104 1.362 . . . . 0.0 110.633 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 62.31 12.57 5.31 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.825 2.05 . . . . 0.0 112.811 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.15 -25.58 61.63 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.048 1.739 . . . . 0.0 109.777 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -150.15 171.12 17.42 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.788 1.635 . . . . 0.0 107.229 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.03 156.53 47.72 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 127.178 2.191 . . . . 0.0 105.374 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -52.9 -37.14 60.34 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.729 0.695 . . . . 0.0 111.199 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -71.5 -44.86 63.91 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.87 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -60.24 -45.71 92.31 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.222 1.009 . . . . 0.0 110.85 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.36 -51.78 65.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.68 -33.65 74.36 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.928 1.291 . . . . 0.0 113.115 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.2 tp -69.86 -48.83 57.33 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 124.057 0.943 . . . . 0.0 110.424 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' HB2' ' HE1' ' A' ' 57' ' ' TRP . 36.8 mm-40 -74.16 -43.66 56.53 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.264 0.626 . . . . 0.0 110.759 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.0 p -73.63 -21.45 60.3 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.69 1.132 . . . . 0.0 113.361 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.04 -6.68 78.29 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 123.985 0.802 . . . . 0.0 112.739 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.4 mt -75.64 170.26 16.51 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.422 1.489 . . . . 0.0 110.729 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.9 t -80.01 150.38 30.43 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -60.71 -45.37 94.47 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 118.943 0.792 . . . . 0.0 109.573 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.91 -42.48 70.01 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-O 118.45 -1.194 . . . . 0.0 112.084 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.1 m -53.23 -57.34 10.84 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.522 1.161 . . . . 0.0 111.431 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 mt -53.93 -54.42 20.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 123.968 0.907 . . . . 0.0 111.198 -178.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 p -58.99 -40.37 84.64 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 118.352 0.523 . . . . 0.0 112.27 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -66.2 -48.97 68.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -59.43 -46.82 87.64 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.058 1.743 . . . . 0.0 110.593 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.441 ' HA ' ' HB2' ' A' ' 7' ' ' ARG . 68.1 mt -55.99 -34.62 38.55 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 O-C-N 121.778 -0.577 . . . . 0.0 111.769 -179.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -98.83 7.45 46.03 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 118.556 -0.735 . . . . 0.0 112.834 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.8 t70 57.94 41.6 24.23 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.982 1.372 . . . . 0.0 108.906 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -112.3 -5.84 14.12 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.414 1.885 . . . . 0.0 112.113 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -76.16 171.26 14.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.857 1.263 . . . . 0.0 110.825 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -72.46 -169.98 0.6 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 128.663 2.785 . . . . 0.0 108.622 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.17 -169.33 41.63 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 107.413 -2.275 . . . . 0.0 107.413 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.7 t0 67.33 28.65 7.84 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.151 1.38 . . . . 0.0 109.004 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -53.05 -31.36 41.12 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 126.647 1.979 . . . . 0.0 108.893 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -53.72 -50.66 65.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.139 2.576 . . . . 0.0 111.074 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -59.69 -47.89 83.85 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.575 1.15 . . . . 0.0 109.224 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.6 t -64.29 -53.51 42.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 123.576 0.75 . . . . 0.0 109.881 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 p -55.0 -48.41 73.35 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.483 1.113 . . . . 0.0 111.226 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -61.74 -33.39 73.96 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.699 1.136 . . . . 0.0 111.312 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.2 m -68.56 -41.96 79.02 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.56 -34.11 73.72 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.854 0.862 . . . . 0.0 109.986 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -55.97 26.93 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.87 1.668 . . . . 0.0 107.984 178.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -55.25 -46.04 76.05 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.429 0.692 . . . . 0.0 109.379 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.433 ' HE1' ' HB2' ' A' ' 27' ' ' GLU . 89.5 t90 -61.41 -42.07 98.14 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 119.158 -0.448 . . . . 0.0 110.996 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.03 -39.28 90.08 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.613 1.097 . . . . 0.0 110.335 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -61.02 -39.54 90.12 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -73.94 -31.46 63.06 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 119.559 1.072 . . . . 0.0 110.223 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -59.47 3.31 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 118.623 0.647 . . . . 0.0 109.438 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -69.38 -18.53 63.78 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-N 121.126 1.784 . . . . 0.0 111.808 -178.599 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.4 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -64.44 179.84 1.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.679 2.919 . . . . 0.0 111.901 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 mtm -124.81 166.27 16.53 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 122.09 0.948 . . . . 0.0 112.255 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -95.7 162.35 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 126.763 2.025 . . . . 0.0 108.172 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.1 mm -54.83 -42.43 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.0 t -52.08 -45.56 64.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 126.884 2.074 . . . . 0.0 111.507 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -71.93 -42.9 66.1 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.551 0.74 . . . . 0.0 111.321 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.19 -54.6 32.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -61.76 -35.37 77.92 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.52 -0.737 . . . . 0.0 110.814 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.33 -15.9 63.63 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 118.67 0.668 . . . . 0.0 111.33 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.72 -59.1 2.04 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.6 mt -55.25 -36.53 66.15 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.13 0.972 . . . . 0.0 113.228 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -61.01 -42.45 98.47 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.016 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -58.73 -44.01 90.36 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 118.889 0.768 . . . . 0.0 109.348 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.17 -49.92 72.62 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 123.826 0.704 . . . . 0.0 110.395 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -75.05 -32.43 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.283 -0.885 . . . . 0.0 112.862 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.82 -30.89 69.54 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 124.749 1.22 . . . . 0.0 111.36 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -97.2 6.42 48.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.34 1.056 . . . . 0.0 109.89 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 55.5 31.97 18.09 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.282 1.833 . . . . 0.0 111.857 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -66.76 -30.69 70.97 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.638 1.575 . . . . 0.0 108.81 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 t -163.22 -177.72 5.54 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.276 1.83 . . . . 0.0 109.345 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.2 p -121.61 162.8 20.01 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.603 1.161 . . . . 0.0 111.314 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -60.26 -35.12 74.78 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.862 0.865 . . . . 0.0 109.331 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -46.99 86.16 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 108.247 -1.019 . . . . 0.0 108.247 178.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -64.47 -48.76 74.02 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.084 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.0 mt -55.49 -45.63 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.73 -48.57 78.65 Favored 'General case' 0 C--O 1.224 -0.249 0 O-C-N 121.397 -0.815 . . . . 0.0 111.91 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.55 -39.62 88.59 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.684 0.794 . . . . 0.0 112.809 -178.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.96 -46.88 15.9 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.244 1.018 . . . . 0.0 110.728 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -70.97 -26.41 63.14 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 120.8 -1.188 . . . . 0.0 111.67 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.1 4.89 86.36 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 125.476 1.512 . . . . 0.0 110.591 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.2 mt -86.02 166.17 16.09 Favored 'General case' 0 C--N 1.338 0.1 0 CA-C-N 119.382 1.591 . . . . 0.0 109.351 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 t -73.32 141.57 47.12 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -32.54 69.45 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 125.009 1.324 . . . . 0.0 112.935 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.62 -38.75 19.73 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.495 HG23 ' CE1' ' A' ' 43' ' ' TYR . 24.2 m -56.79 -45.84 81.91 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 125.183 1.393 . . . . 0.0 112.055 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.8 mt -58.35 -46.34 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.11 -44.29 87.62 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 121.918 -0.489 . . . . 0.0 112.073 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -47.14 85.09 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -56.65 -47.41 79.82 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.53 1.132 . . . . 0.0 110.359 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.89 -33.19 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 O-C-N 121.732 -0.605 . . . . 0.0 110.206 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -84.22 1.98 42.01 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.217 0.917 . . . . 0.0 110.811 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 t70 70.9 10.19 6.93 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 128.341 2.656 . . . . 0.0 111.611 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -87.13 7.27 28.77 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.145 1.778 . . . . 0.0 114.069 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.495 ' CE1' HG23 ' A' ' 34' ' ' THR . 24.4 t80 -85.99 155.06 21.03 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.322 1.419 . . . . 0.0 107.189 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -149.97 152.43 34.94 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.119 1.367 . . . . 0.0 109.417 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.12 -49.81 4.16 Favored Glycine 0 C--N 1.331 0.287 0 N-CA-C 118.153 2.021 . . . . 0.0 118.153 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.69 21.62 12.42 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.56 1.18 . . . . 0.0 112.599 -177.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -49.3 -47.41 46.98 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 126.284 1.833 . . . . 0.0 112.067 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.1 -45.19 86.2 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.728 0.695 . . . . 0.0 110.573 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -61.66 -43.17 99.36 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 120.779 -1.201 . . . . 0.0 109.868 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.12 -51.2 75.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.9 p -57.11 -49.91 74.43 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.655 0.782 . . . . 0.0 110.317 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -57.38 -35.4 69.94 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.793 1.237 . . . . 0.0 111.584 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.6 m -75.62 -35.64 60.46 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.477 -0.764 . . . . 0.0 109.235 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.6 mt -71.18 -36.17 71.88 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 123.809 0.844 . . . . 0.0 109.781 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -50.37 73.42 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 125.024 1.329 . . . . 0.0 110.023 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -61.02 -43.18 99.27 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.029 0.532 . . . . 0.0 110.402 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -61.42 -49.51 76.58 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.41 -35.67 74.4 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.588 0.631 . . . . 0.0 111.833 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -67.33 -40.86 85.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 118.743 0.701 . . . . 0.0 109.27 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -31.68 64.07 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.606 0.639 . . . . 0.0 110.093 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.77 -44.57 69.88 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.444 0.697 . . . . 0.0 109.668 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -70.87 -5.06 27.69 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 118.65 -0.69 . . . . 0.0 111.698 177.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.912 0 CA-C-O 116.255 -1.831 . . . . 0.0 110.739 -179.709 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.754 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -67.63 150.16 79.56 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.098 1.865 . . . . 0.0 109.443 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp -143.07 125.36 15.53 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 127.16 2.184 . . . . 0.0 107.462 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -66.04 162.3 19.76 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.426 HG22 HH11 ' A' ' 7' ' ' ARG . 8.3 mt -47.65 -42.5 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 125.916 1.686 . . . . 0.0 110.857 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.6 t -61.29 -38.02 85.28 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 117.658 -1.163 . . . . 0.0 112.611 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.79 -39.76 69.69 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 119.506 1.048 . . . . 0.0 109.625 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.7 mt -60.41 -53.71 45.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.426 HH11 HG22 ' A' ' 3' ' ' ILE . 32.5 ptt-85 -64.78 -34.5 78.49 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 117.608 -1.187 . . . . 0.0 111.589 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.96 -43.39 77.49 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.44 1.018 . . . . 0.0 112.39 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.93 -37.57 94.44 Favored Glycine 0 CA--C 1.523 0.581 0 CA-C-N 117.997 0.362 . . . . 0.0 112.478 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.3 -38.47 80.29 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 121.692 -0.887 . . . . 0.0 110.49 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -55.74 -48.49 75.13 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -57.15 -44.53 83.51 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.376 1.07 . . . . 0.0 110.557 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.01 -47.11 86.41 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.343 0.657 . . . . 0.0 110.451 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.9 -30.75 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-N 119.374 0.988 . . . . 0.0 112.26 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -60.37 -39.54 87.58 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 123.819 0.848 . . . . 0.0 109.975 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -92.01 9.72 32.04 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.136 1.374 . . . . 0.0 111.582 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 57.66 15.06 2.68 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.643 2.377 . . . . 0.0 114.595 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -50.21 -35.82 28.14 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 127.986 2.514 . . . . 0.0 112.195 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -163.59 166.53 22.34 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.173 0.989 . . . . 0.0 108.592 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -115.42 159.22 21.41 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -52.15 -36.94 52.93 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -64.39 -42.59 96.06 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 118.919 0.782 . . . . 0.0 110.799 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -65.17 -43.97 90.0 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 54.6 mt -59.23 -46.02 92.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.71 -45.88 88.57 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 124.196 0.999 . . . . 0.0 110.886 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.0 tp -57.81 -48.73 78.88 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.648 0.779 . . . . 0.0 111.399 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -78.24 -39.0 41.63 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -74.07 -28.06 61.21 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 121.639 -0.663 . . . . 0.0 110.586 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.73 -4.76 76.14 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 126.31 1.909 . . . . 0.0 110.199 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.6 mt -76.99 174.17 10.94 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 124.869 1.268 . . . . 0.0 108.955 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.7 t -90.5 149.13 22.32 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -55.91 -46.04 78.5 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.59 -48.38 84.88 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-O 118.226 -1.319 . . . . 0.0 111.451 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.3 m -54.09 -47.8 71.37 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 124.47 1.108 . . . . 0.0 110.676 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.1 mt -60.1 -49.19 85.02 Favored 'Isoleucine or valine' 0 C--O 1.23 0.07 0 CA-C-N 118.85 0.75 . . . . 0.0 109.444 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -61.0 -40.41 93.42 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.254 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -41.18 92.21 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 120.11 1.323 . . . . 0.0 108.759 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.78 -50.85 71.87 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.156 1.382 . . . . 0.0 110.234 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.1 mt -65.97 -44.05 92.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.096 0.558 . . . . 0.0 110.138 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -77.02 6.76 5.79 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.15 0.98 . . . . 0.0 112.331 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 61.05 16.96 7.53 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 128.11 2.564 . . . . 0.0 114.742 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -83.66 -23.3 31.83 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 120.586 -1.321 . . . . 0.0 109.196 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -72.03 129.94 39.74 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -139.32 155.24 47.84 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 126.641 1.976 . . . . 0.0 106.378 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.32 98.98 0.39 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.671 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 69.15 38.16 1.98 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.408 1.483 . . . . 0.0 110.635 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -57.34 -35.47 69.95 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.056 1.342 . . . . 0.0 110.609 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -60.76 -36.6 79.36 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.604 0.762 . . . . 0.0 110.412 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -64.35 -43.37 94.8 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 120.405 -1.435 . . . . 0.0 108.521 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -62.83 -46.61 95.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.6 p -58.4 -50.64 72.98 Favored 'General case' 0 C--N 1.34 0.186 0 CA-C-N 119.059 0.845 . . . . 0.0 109.558 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -55.76 -36.46 67.33 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 124.766 1.227 . . . . 0.0 111.554 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.1 m -70.33 -38.01 74.81 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.48 -35.15 73.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.121 -0.942 . . . . 0.0 109.937 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -57.24 -53.15 61.32 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.692 0.797 . . . . 0.0 110.29 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -58.58 -35.12 71.89 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 59.6 t90 -70.43 -54.49 12.15 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.49 -36.26 68.92 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.012 1.325 . . . . 0.0 112.489 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -59.32 -40.5 86.47 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.671 0.788 . . . . 0.0 110.751 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -82.91 -32.09 27.46 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.071 0.396 . . . . 0.0 110.311 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -52.15 65.09 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -77.52 9.51 3.27 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 CA-C-N 119.808 1.185 . . . . 0.0 110.673 179.498 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.06 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -65.97 94.02 0.28 Allowed 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 124.122 3.215 . . . . 0.0 111.998 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mtp -55.59 134.05 50.78 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.773 1.229 . . . . 0.0 110.288 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -69.59 165.19 21.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.541 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 mt -54.21 -36.29 32.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 O-C-N 121.077 -1.014 . . . . 0.0 110.239 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 t -68.44 -47.8 66.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.551 1.54 . . . . 0.0 109.639 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.07 -42.99 99.52 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.14 0.976 . . . . 0.0 110.659 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.3 mt -56.8 -59.55 2.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 124.815 1.246 . . . . 0.0 108.964 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -59.17 -36.7 75.77 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.958 0.799 . . . . 0.0 111.235 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.35 -18.54 65.42 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 118.206 -0.902 . . . . 0.0 113.297 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.76 -42.35 4.47 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 119.149 0.886 . . . . 0.0 110.95 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.2 mt -58.84 -37.86 77.42 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.17 0.985 . . . . 0.0 111.086 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -56.2 -43.1 78.18 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.066 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 m -56.75 -42.66 79.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 119.036 0.834 . . . . 0.0 111.403 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.97 -47.54 77.25 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.201 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -69.97 -38.03 74.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 118.777 -1.169 . . . . 0.0 111.932 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -61.01 -27.48 68.35 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.868 1.667 . . . . 0.0 112.031 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -100.53 7.1 44.3 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.073 1.349 . . . . 0.0 110.615 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 56.85 13.79 1.6 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 127.575 2.35 . . . . 0.0 113.511 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.48 -38.92 14.74 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.912 2.485 . . . . 0.0 111.942 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 t -160.96 143.74 12.75 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.41 157.44 23.68 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.882 0.372 . . . . 0.0 111.911 -178.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.49 ' HA ' HD12 ' A' ' 24' ' ' ILE . 25.4 m-85 -53.12 -35.43 59.67 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.65 1.18 . . . . 0.0 111.874 178.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -66.1 -36.99 84.63 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.01 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -68.92 -42.39 76.85 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 21' ' ' PHE . 42.5 mt -56.49 -49.91 75.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.81 87.97 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 123.594 0.758 . . . . 0.0 111.463 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.61 -47.28 82.06 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -76.97 -32.11 57.03 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.1 p -81.08 -22.72 38.97 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 121.827 -0.546 . . . . 0.0 110.71 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.59 -6.11 70.85 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.878 1.228 . . . . 0.0 111.44 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.8 mt -75.38 172.14 12.99 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.786 1.293 . . . . 0.0 108.362 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m -88.65 157.12 18.66 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 177.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.9 p -59.98 -42.86 95.11 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.203 -0.935 . . . . 0.0 110.994 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.51 -26.51 66.59 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 125.02 1.295 . . . . 0.0 112.582 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.4 m -70.25 -55.43 9.28 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.236 1.518 . . . . 0.0 110.413 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.2 mt -54.2 -49.78 60.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 C-N-CA 124.212 1.005 . . . . 0.0 110.502 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.5 p -61.98 -44.39 96.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.2 p -67.16 -38.09 84.88 Favored 'General case' 0 N--CA 1.414 -2.233 0 O-C-N 121.809 -0.557 . . . . 0.0 109.922 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -61.14 -52.42 64.95 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.951 0.9 . . . . 0.0 108.889 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.0 mt -55.32 -32.74 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.865 0.866 . . . . 0.0 112.082 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -102.55 20.53 16.94 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 61.41 6.23 1.38 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.644 1.978 . . . . 0.0 112.776 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -74.18 -29.33 61.71 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 120.411 -1.431 . . . . 0.0 111.629 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -70.16 141.36 52.63 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -153.13 75.58 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.4 60.4 0.19 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 76.87 58.4 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 126.94 2.096 . . . . 0.0 108.609 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -58.11 -31.9 67.58 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.36 -41.51 97.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.811 2.045 . . . . 0.0 110.83 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -48.03 54.61 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 69.9 t -55.23 -47.51 77.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 123.755 0.822 . . . . 0.0 109.223 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 p -58.15 -42.16 85.33 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.444 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -64.17 -32.49 74.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 120.011 1.278 . . . . 0.0 111.171 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.1 m -72.9 -40.61 65.4 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.08 -1.013 . . . . 0.0 108.658 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.12 -38.59 88.56 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.198 0.999 . . . . 0.0 110.076 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.12 -52.24 52.84 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.682 1.993 . . . . 0.0 111.52 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -61.7 -43.62 98.5 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.129 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -61.56 -44.5 96.92 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 119.158 -0.449 . . . . 0.0 110.977 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.71 -39.93 80.22 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 118.752 0.705 . . . . 0.0 111.046 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -58.09 -44.34 87.56 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 118.268 -0.873 . . . . 0.0 109.984 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -70.17 -31.7 69.29 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.307 0.958 . . . . 0.0 110.93 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.59 -50.95 47.64 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -82.18 -14.07 56.18 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.199 0 CA-C-N 122.568 2.44 . . . . 0.0 112.374 -179.113 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.567 0 N-CA-C 108.582 -1.807 . . . . 0.0 108.582 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -64.64 168.29 13.55 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 121.899 1.733 . . . . 0.0 111.898 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptm -137.85 133.83 34.4 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 126.022 1.729 . . . . 0.0 108.817 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -72.39 161.89 30.22 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.76 1.224 . . . . 0.0 110.28 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.413 ' HA ' HD12 ' A' ' 6' ' ' ILE . 25.1 mt -49.1 -45.57 17.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 126.845 2.058 . . . . 0.0 111.172 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.5 t -58.29 -32.58 68.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.026 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -81.55 -35.48 30.22 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.394 0.997 . . . . 0.0 111.371 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 3' ' ' ILE . 97.7 mt -53.98 -55.04 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.964 1.306 . . . . 0.0 108.621 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -58.95 -32.79 69.93 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 117.869 -1.063 . . . . 0.0 113.453 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.97 95.54 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 119.707 1.14 . . . . 0.0 110.641 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.62 -45.4 95.7 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.42 -37.09 77.16 Favored 'General case' 0 CA--C 1.517 -0.292 0 O-C-N 121.896 -0.767 . . . . 0.0 111.701 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -64.7 -46.92 80.31 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.0 m -56.31 -41.83 76.62 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.167 0.587 . . . . 0.0 110.149 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB3' HG22 ' A' ' 19' ' ' THR . 87.3 mt -63.46 -52.39 61.6 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 119.059 -0.496 . . . . 0.0 110.891 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.67 -32.86 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 119.293 0.951 . . . . 0.0 111.865 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.03 -28.2 68.68 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.968 1.307 . . . . 0.0 111.974 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -103.35 15.88 27.97 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.763 1.225 . . . . 0.0 110.108 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 56.38 18.57 3.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.755 1.622 . . . . 0.0 112.569 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.29 -39.79 94.63 Favored 'General case' 0 C--N 1.335 -0.054 0 C-N-CA 125.862 1.665 . . . . 0.0 110.114 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.4 HG22 ' HB3' ' A' ' 13' ' ' LEU . 1.6 t -143.44 179.15 7.28 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.934 1.294 . . . . 0.0 108.904 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 m -139.53 152.5 46.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.691 1.596 . . . . 0.0 107.097 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -52.98 -41.45 64.6 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 123.641 0.776 . . . . 0.0 111.068 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -44.03 87.76 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.274 178.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -67.79 -51.52 47.86 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 117.736 -1.126 . . . . 0.0 110.611 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.9 mt -52.17 -47.87 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 119.922 1.237 . . . . 0.0 108.196 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.47 88.31 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 123.862 0.865 . . . . 0.0 112.423 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.17 -56.53 20.94 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.055 0.542 . . . . 0.0 109.966 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -60.17 -43.99 95.38 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.417 1.487 . . . . 0.0 112.51 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.0 p -79.48 -19.89 48.66 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.892 0.769 . . . . 0.0 112.863 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.04 -1.6 88.4 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.837 1.208 . . . . 0.0 110.226 -177.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.5 mt -82.57 167.18 18.59 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 119.064 1.432 . . . . 0.0 110.139 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 t -78.93 147.13 33.14 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.5 p -60.44 -47.28 86.79 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.71 -33.94 60.2 Favored Glycine 0 C--N 1.341 0.828 0 C-N-CA 124.233 0.921 . . . . 0.0 112.224 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.7 m -66.35 -55.77 14.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -54.88 -51.04 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 C-N-CA 124.138 0.975 . . . . 0.0 111.487 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 p -61.11 -38.18 85.39 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 t -73.63 -39.59 64.41 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -56.79 -50.03 73.55 Favored 'General case' 0 CA--C 1.527 0.073 0 C-N-CA 126.813 2.045 . . . . 0.0 109.157 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.9 mt -58.09 -41.96 81.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 123.204 0.602 . . . . 0.0 110.293 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -79.69 0.12 31.72 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.733 0.813 . . . . 0.0 112.991 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . 0.257 1.8 t70 56.16 45.21 23.79 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 127.711 2.404 . . . . 0.0 109.367 -177.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -116.04 -10.41 11.57 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 126.161 1.784 . . . . 0.0 109.767 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -80.68 120.7 24.94 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 100.268 -3.975 . . . . 0.0 100.268 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -124.7 104.93 8.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.04 -123.18 1.15 Allowed Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -78.31 62.9 3.09 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.137 0.975 . . . . 0.0 109.362 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -66.45 -32.92 74.59 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.522 1.529 . . . . 0.0 111.746 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.98 -47.86 81.32 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.59 0.756 . . . . 0.0 110.397 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -55.51 -41.83 73.63 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 121.638 -0.663 . . . . 0.0 109.414 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.9 t -66.06 -52.48 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-O 118.081 -0.961 . . . . 0.0 108.914 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.6 p -56.3 -54.08 49.61 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 119.742 1.155 . . . . 0.0 111.512 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -56.71 -40.53 75.83 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.696 0.798 . . . . 0.0 110.555 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.5 m -68.02 -38.94 83.15 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.402 -0.811 . . . . 0.0 109.887 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.99 -25.62 61.91 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 117.684 -1.151 . . . . 0.0 111.078 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -66.76 -53.29 34.7 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 120.011 1.278 . . . . 0.0 108.404 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -57.9 -29.55 65.18 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 124.608 1.163 . . . . 0.0 111.745 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -78.53 -38.96 39.3 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.448 0.699 . . . . 0.0 109.402 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -44.21 81.18 Favored 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -178.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -54.16 -50.44 66.98 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 123.627 0.579 . . . . 0.0 111.639 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -66.8 -30.69 70.96 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 123.56 0.744 . . . . 0.0 110.73 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -62.45 1.85 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -69.79 -29.47 66.79 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 118.966 -1.094 . . . . 0.0 111.045 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 C-N-CA 129.266 3.026 . . . . 0.0 110.196 -178.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 . . . . . 0 C--O 1.234 0.271 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 mt -58.77 -34.01 50.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 O-C-N 121.585 -0.697 . . . . 0.0 109.57 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.9 m -59.38 -37.91 79.15 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.596 1.158 . . . . 0.0 110.71 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -69.34 -40.91 77.27 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 118.878 0.763 . . . . 0.0 109.598 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.33 -58.87 3.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -62.0 -33.15 73.81 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.651 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.16 -23.49 67.46 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-O 117.52 -1.229 . . . . 0.0 112.883 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.5 -44.53 5.82 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.5 mt -56.86 -38.98 73.46 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 121.464 -1.021 . . . . 0.0 112.372 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -59.73 -44.08 93.92 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 119.042 -0.504 . . . . 0.0 109.793 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -58.98 -43.44 91.41 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.418 1.087 . . . . 0.0 111.121 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.7 -50.94 64.98 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 119.137 -0.458 . . . . 0.0 111.066 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.5 m -67.75 -33.26 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 119.819 -0.752 . . . . 0.0 112.023 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.58 -34.55 71.22 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 124.77 1.228 . . . . 0.0 110.888 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -109.21 19.7 19.14 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.898 0.879 . . . . 0.0 112.689 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 59.65 17.79 6.55 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.921 1.688 . . . . 0.0 114.891 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.25 -20.9 65.73 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.173 1.789 . . . . 0.0 111.112 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 t -158.7 175.96 12.97 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.934 1.294 . . . . 0.0 108.011 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.2 p -137.19 161.75 35.32 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.086 1.354 . . . . 0.0 108.786 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -59.83 -43.24 94.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -61.51 -48.21 82.07 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.202 1.001 . . . . 0.0 112.305 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -65.88 -43.52 88.07 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 117.313 -1.327 . . . . 0.0 109.925 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.0 mt -60.05 -47.04 93.4 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.7 87.07 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 123.402 0.681 . . . . 0.0 111.105 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.0 tp -65.83 -49.03 69.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 119.218 -0.42 . . . . 0.0 110.868 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -67.74 -32.58 73.3 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.6 p -86.93 -18.41 30.86 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 121.837 -0.539 . . . . 0.0 112.202 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.78 13.11 82.56 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.2 mt -96.18 177.3 5.77 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.748 1.619 . . . . 0.0 107.515 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m -92.85 150.85 20.34 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 p -56.59 -46.5 80.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.112 0.965 . . . . 0.0 111.231 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.04 -35.76 78.15 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 118.938 -0.924 . . . . 0.0 112.863 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.0 m -61.73 -51.72 67.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.177 0.991 . . . . 0.0 110.359 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.0 -51.87 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 C-N-CA 124.063 0.945 . . . . 0.0 109.718 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 p -59.45 -45.59 91.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.476 -0.297 . . . . 0.0 111.225 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.14 -35.91 80.74 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.717 0.689 . . . . 0.0 112.133 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -64.18 -49.08 73.46 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.979 1.312 . . . . 0.0 107.476 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.72 -45.97 97.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -65.72 -6.45 11.61 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.594 1.157 . . . . 0.0 111.753 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 t0 53.85 44.69 29.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.25 1.42 . . . . 0.0 107.718 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -131.38 -6.12 3.77 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 127.211 2.204 . . . . 0.0 112.538 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -67.21 134.97 52.7 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -114.17 114.22 25.73 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.07 -157.06 27.36 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 108.527 -1.829 . . . . 0.0 108.527 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -79.51 83.61 5.48 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -60.42 -31.84 70.78 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 122.647 0.379 . . . . 0.0 110.206 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -64.22 -34.99 79.36 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.942 0.497 . . . . 0.0 110.286 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -62.16 -47.88 82.57 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 120.78 -1.2 . . . . 0.0 107.974 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.74 -46.38 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 125.04 1.336 . . . . 0.0 110.157 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 99.8 p -55.63 -51.33 67.57 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 119.272 0.942 . . . . 0.0 110.091 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -58.42 -36.58 73.82 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 118.426 -0.797 . . . . 0.0 113.079 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 m -69.27 -45.58 69.35 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.35 -30.31 71.47 Favored 'General case' 0 C--O 1.227 -0.095 0 O-C-N 120.764 -1.21 . . . . 0.0 112.464 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -60.67 -48.75 80.4 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 118.625 0.648 . . . . 0.0 110.103 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -59.56 -38.98 82.55 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 122.743 0.417 . . . . 0.0 110.552 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -65.25 -49.85 68.02 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.16 -36.0 78.61 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.321 -0.862 . . . . 0.0 111.366 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -59.82 -50.28 74.42 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.202 1.001 . . . . 0.0 109.622 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -69.03 -31.67 70.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.493 0.588 . . . . 0.0 111.514 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -62.71 1.31 Allowed 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -63.43 -17.05 62.27 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 179.01 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 . . . . . 0 N--CA 1.463 0.198 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.0 mt -58.95 -40.4 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.6 t -57.36 -43.12 83.26 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.468 1.507 . . . . 0.0 108.187 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -70.55 -46.23 63.95 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 119.022 0.828 . . . . 0.0 110.12 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.99 -56.36 9.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 124.609 1.164 . . . . 0.0 108.345 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.413 ' HB2' ' HA ' ' A' ' 39' ' ' ILE . 38.2 ptt85 -67.15 -30.83 70.92 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.08 -40.12 78.64 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 118.754 0.706 . . . . 0.0 110.571 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.2 -43.88 93.38 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 108.085 -2.006 . . . . 0.0 108.085 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.412 HD11 HD13 ' A' ' 54' ' ' LEU . 29.3 mt -58.2 -41.01 83.03 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 117.945 -1.026 . . . . 0.0 111.407 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -58.81 -47.83 83.42 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.4 m -53.76 -54.62 35.58 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.539 0.524 . . . . 0.0 110.16 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.22 -39.18 81.9 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.686 0.675 . . . . 0.0 112.14 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -77.91 -37.66 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 119.934 -1.729 . . . . 0.0 112.415 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -69.49 -35.9 75.99 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.968 1.707 . . . . 0.0 110.086 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -81.5 -0.76 43.35 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.919 0.887 . . . . 0.0 110.521 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 69.67 12.19 8.03 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 128.672 2.789 . . . . 0.0 112.346 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -56.58 -37.7 70.96 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 126.182 1.793 . . . . 0.0 111.293 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 t -151.67 -177.18 5.95 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.821 0.848 . . . . 0.0 109.821 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.6 m -130.49 156.2 45.18 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.043 1.737 . . . . 0.0 106.609 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -52.66 -36.96 57.86 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.673 -1.267 . . . . 0.0 114.174 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -60.64 -39.76 89.48 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 118.849 -0.596 . . . . 0.0 112.061 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -67.04 -43.95 81.45 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 123.821 0.701 . . . . 0.0 110.221 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mt -61.81 -49.74 83.03 Favored 'Isoleucine or valine' 0 C--N 1.339 0.121 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.45 -49.66 73.96 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 123.548 0.739 . . . . 0.0 111.719 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.88 -44.79 82.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.026 1.331 . . . . 0.0 112.376 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -78.47 -41.31 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 p -73.33 -28.33 62.01 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 123.373 0.669 . . . . 0.0 112.145 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.61 12.73 60.58 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.419 -1.073 . . . . 0.0 110.419 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.8 mt -97.85 -177.68 3.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.898 1.349 . . . . 0.0 109.174 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.3 t -99.83 145.76 27.38 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 p -56.37 -51.7 67.34 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.529 1.132 . . . . 0.0 110.804 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.29 -43.55 93.65 Favored Glycine 0 C--N 1.338 0.692 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 49.5 m -59.16 -53.01 63.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 117.655 -1.164 . . . . 0.0 110.511 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.1 mt -56.08 -46.94 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 120.09 1.314 . . . . 0.0 109.378 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -44.09 82.7 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.835 -0.541 . . . . 0.0 110.881 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -36.58 77.44 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 123.995 0.918 . . . . 0.0 110.216 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -64.14 -46.84 82.3 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.535 1.134 . . . . 0.0 108.142 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.413 ' HA ' ' HB2' ' A' ' 7' ' ' ARG . 85.5 mt -58.83 -39.54 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 O-C-N 121.837 -0.539 . . . . 0.0 110.023 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -79.25 -3.43 45.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.7 t70 56.9 41.48 27.81 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.982 1.372 . . . . 0.0 108.58 -177.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -125.52 -6.21 6.99 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 125.952 1.701 . . . . 0.0 110.735 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -63.98 142.84 58.26 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 120.324 1.42 . . . . 0.0 108.092 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -117.87 92.55 3.86 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 104.503 -2.406 . . . . 0.0 104.503 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.27 -161.47 26.34 Favored Glycine 0 N--CA 1.435 -1.382 0 N-CA-C 107.326 -2.31 . . . . 0.0 107.326 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -88.0 85.99 7.06 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 102.743 -3.058 . . . . 0.0 102.743 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -56.22 -31.21 63.3 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.128 0.971 . . . . 0.0 109.163 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -60.91 -35.02 75.59 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.5 1.92 . . . . 0.0 110.075 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 tpp85 -68.74 -48.63 63.27 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 120.347 -1.471 . . . . 0.0 107.099 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.8 t -56.65 -46.59 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.083 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 p -59.87 -44.61 94.07 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.399 0.999 . . . . 0.0 110.058 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -60.69 -38.77 86.09 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.66 0.664 . . . . 0.0 111.328 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 m -69.83 -37.19 76.11 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.55 0.614 . . . . 0.0 109.9 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.412 HD13 HD11 ' A' ' 10' ' ' LEU . 74.6 mt -72.79 -28.62 62.7 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 117.24 -1.362 . . . . 0.0 110.287 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -58.32 -50.78 72.43 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.467 1.031 . . . . 0.0 109.405 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -57.35 -48.66 78.42 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 118.561 0.619 . . . . 0.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -59.94 -47.03 87.44 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.141 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.77 -35.15 78.88 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 124.606 1.163 . . . . 0.0 111.458 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.97 -50.27 71.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -66.0 -35.92 81.87 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 118.884 0.766 . . . . 0.0 109.666 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -53.34 38.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -60.62 -22.65 64.01 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 117.598 -1.191 . . . . 0.0 114.18 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.344 0 CA-C-N 120.004 1.275 . . . . 0.0 110.238 179.631 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.0 t30 . . . . . 0 CA--C 1.535 0.381 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 mt -47.42 -53.9 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.558 1.143 . . . . 0.0 112.562 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -55.79 -35.28 66.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.379 1.072 . . . . 0.0 113.034 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.23 -47.38 16.04 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.889 1.676 . . . . 0.0 108.878 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.5 mt -53.52 -54.23 19.99 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 C-N-CA 124.773 1.229 . . . . 0.0 108.17 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 -63.42 -31.44 72.6 Favored 'General case' 0 C--N 1.339 0.114 0 CA-C-O 117.801 -1.095 . . . . 0.0 113.331 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.62 -46.59 85.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 119.221 0.918 . . . . 0.0 111.435 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.72 -41.01 93.62 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.99 -35.49 76.95 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.364 -1.08 . . . . 0.0 112.447 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -66.13 -46.66 76.76 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -54.03 -41.26 67.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.115 0.885 . . . . 0.0 110.244 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.426 ' HB3' HG22 ' A' ' 19' ' ' THR . 77.3 mt -65.05 -51.98 58.41 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.803 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -69.26 -29.55 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 119.78 1.173 . . . . 0.0 112.536 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.78 -23.6 64.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.676 1.591 . . . . 0.0 112.138 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -112.93 12.41 19.35 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.229 1.412 . . . . 0.0 110.808 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 60.38 17.39 7.12 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.612 2.365 . . . . 0.0 114.223 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.69 -22.99 67.19 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.786 2.034 . . . . 0.0 109.897 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.426 HG22 ' HB3' ' A' ' 13' ' ' LEU . 2.4 t -157.87 177.85 10.89 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.937 2.095 . . . . 0.0 108.345 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.0 m -141.06 151.74 44.27 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.894 1.678 . . . . 0.0 108.261 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -53.07 -40.18 63.85 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.828 1.195 . . . . 0.0 111.663 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -61.37 -45.89 92.51 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.414 1.086 . . . . 0.0 110.389 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -61.41 -52.05 66.22 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.981 1.313 . . . . 0.0 109.107 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.4 mt -55.84 -48.41 78.3 Favored 'Isoleucine or valine' 0 C--N 1.343 0.296 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.28 92.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.552 0.741 . . . . 0.0 112.039 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.1 -51.34 66.97 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.383 0.538 . . . . 0.0 110.195 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.05 -48.05 81.98 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -75.17 -19.7 59.71 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.612 1.165 . . . . 0.0 113.388 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.86 4.56 62.52 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.9 mt -82.72 167.29 18.34 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.8 m -84.28 150.7 25.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.239 -0.913 . . . . 0.0 108.921 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.1 p -57.86 -34.11 69.39 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 124.269 1.028 . . . . 0.0 110.409 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.65 -37.91 61.55 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 118.49 -1.172 . . . . 0.0 110.792 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.421 HG23 ' CE1' ' A' ' 43' ' ' TYR . 55.4 m -59.75 -52.84 63.76 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 118.872 1.336 . . . . 0.0 110.519 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.4 mt -54.68 -50.92 56.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 123.03 0.532 . . . . 0.0 110.301 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.0 p -63.99 -41.98 97.35 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.974 -0.536 . . . . 0.0 111.902 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -61.34 -46.75 88.94 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.736 1.614 . . . . 0.0 109.995 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -58.48 -48.36 81.03 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.172 1.389 . . . . 0.0 110.095 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mt -65.5 -36.05 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 119.305 -0.378 . . . . 0.0 110.353 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -83.08 9.01 11.28 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.164 1.386 . . . . 0.0 113.262 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 56.12 34.47 23.92 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.553 1.541 . . . . 0.0 111.571 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -116.28 2.51 13.26 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 120.557 -1.34 . . . . 0.0 114.249 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.421 ' CE1' HG23 ' A' ' 34' ' ' THR . 43.9 t80 -73.87 87.1 1.77 Allowed 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -81.4 58.89 3.8 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 123.783 0.833 . . . . 0.0 110.161 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.86 -149.48 5.05 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 125.431 1.491 . . . . 0.0 110.705 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -82.47 84.65 7.13 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -57.6 -36.78 72.21 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 125.079 1.351 . . . . 0.0 108.653 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -55.12 -36.65 65.95 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.305 2.242 . . . . 0.0 112.667 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -71.81 -42.42 67.06 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 121.052 -1.03 . . . . 0.0 109.141 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.26 -52.3 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-O 118.3 -0.857 . . . . 0.0 109.404 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 p -52.25 -51.62 57.29 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 119.593 1.088 . . . . 0.0 111.526 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -60.91 -31.93 71.42 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.5 m -73.37 -44.56 58.38 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.7 mt -60.78 -34.63 74.77 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.05 -1.031 . . . . 0.0 110.028 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -61.44 -48.19 82.27 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.544 1.137 . . . . 0.0 110.416 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -57.16 -42.95 82.04 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.862 0.755 . . . . 0.0 110.705 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -67.02 -46.79 73.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 119.031 -0.509 . . . . 0.0 109.732 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.6 mt -59.56 -36.48 76.29 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.065 0.946 . . . . 0.0 111.883 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -57.46 -49.95 74.6 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.274 1.029 . . . . 0.0 109.903 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -77.41 -32.27 54.59 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.575 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -59.32 5.23 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -65.51 -12.89 56.95 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-N 120.174 1.352 . . . . 0.0 110.352 -179.094 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.5 m120 . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.0 mt -39.95 -57.13 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 125.841 1.656 . . . . 0.0 114.122 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.3 t -58.37 -49.39 77.4 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.721 -0.657 . . . . 0.0 111.509 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.58 -39.86 85.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 119.18 0.9 . . . . 0.0 110.917 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -63.27 -62.71 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.413 ' HA ' HD12 ' A' ' 10' ' ' LEU . 51.9 ptt85 -57.51 -30.1 64.87 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.764 0.711 . . . . 0.0 112.77 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.07 -26.51 65.87 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 117.949 -1.024 . . . . 0.0 112.106 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.16 -39.07 16.8 Favored Glycine 0 C--N 1.342 0.872 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 7' ' ' ARG . 29.7 mt -55.71 -44.76 77.76 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 124.607 1.163 . . . . 0.0 111.698 -179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -63.17 -38.05 89.65 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 123.438 0.461 . . . . 0.0 110.83 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 m -67.69 -37.77 82.75 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.429 ' HB3' HG22 ' A' ' 19' ' ' THR . 79.7 mt -63.27 -49.34 74.46 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.151 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.0 m -65.65 -35.94 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 119.391 0.996 . . . . 0.0 110.194 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -64.45 -24.7 67.71 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.288 1.035 . . . . 0.0 111.528 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -105.8 8.37 32.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.598 1.559 . . . . 0.0 110.469 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 60.58 12.82 3.82 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.491 2.316 . . . . 0.0 114.04 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.58 -20.33 63.18 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.642 1.577 . . . . 0.0 110.864 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.429 HG22 ' HB3' ' A' ' 13' ' ' LEU . 8.2 t -153.34 -177.62 6.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.193 1.797 . . . . 0.0 107.597 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.2 m -146.31 143.92 29.46 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -52.49 -41.68 63.61 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.91 1.686 . . . . 0.0 112.562 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.03 -43.98 97.68 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.458 0.703 . . . . 0.0 110.592 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -62.86 -47.13 84.67 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.647 1.179 . . . . 0.0 109.26 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 80.6 mt -58.1 -49.96 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.28 83.38 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 122.13 -0.356 . . . . 0.0 110.876 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.45 -53.43 54.93 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 122.848 0.459 . . . . 0.0 110.237 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.67 -47.71 74.56 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.661 0.784 . . . . 0.0 113.089 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.6 p -72.46 -21.45 61.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 118.95 0.796 . . . . 0.0 113.147 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.18 -2.12 87.55 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 mt -78.74 169.41 18.28 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 119.258 1.529 . . . . 0.0 109.413 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.1 t -83.75 147.14 27.79 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -60.94 -31.2 70.75 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.69 -29.71 63.01 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-O 118.81 -0.994 . . . . 0.0 111.706 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.6 m -70.08 -50.95 35.77 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.557 1.178 . . . . 0.0 111.645 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.7 mt -53.93 -51.49 44.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 123.244 0.618 . . . . 0.0 111.314 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.9 p -60.08 -43.04 95.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 118.043 0.383 . . . . 0.0 110.574 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -42.73 98.24 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.531 0.733 . . . . 0.0 110.143 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -62.69 -47.7 82.5 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.402 0.681 . . . . 0.0 109.4 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.05 -45.25 99.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 123.664 0.785 . . . . 0.0 109.375 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.93 -17.3 64.24 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.202 1.401 . . . . 0.0 111.48 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 t70 66.38 56.9 0.75 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.969 2.108 . . . . 0.0 105.606 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.433 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 0.5 OUTLIER -136.39 -1.14 2.36 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 128.095 2.558 . . . . 0.0 112.952 -178.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -77.76 106.19 9.42 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -82.25 -0.01 43.37 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.096 0.958 . . . . 0.0 112.029 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.75 -158.34 21.63 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -75.65 92.24 2.95 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -56.22 -39.58 72.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.486 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -67.68 -44.0 78.81 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 118.847 0.749 . . . . 0.0 109.935 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -56.29 -43.28 78.7 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.18 -0.95 . . . . 0.0 109.023 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.8 t -69.59 -48.88 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 118.125 -0.941 . . . . 0.0 109.052 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.3 p -54.01 -47.7 71.23 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.224 0.92 . . . . 0.0 110.572 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -61.38 -33.01 72.94 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.313 1.045 . . . . 0.0 111.627 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.1 m -73.3 -41.66 63.31 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.1 mt -67.9 -37.17 81.39 Favored 'General case' 0 C--O 1.227 -0.11 0 C-N-CA 123.674 0.789 . . . . 0.0 109.348 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -56.8 -58.4 8.27 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 126.523 1.929 . . . . 0.0 109.24 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.1 mtt-85 -56.1 -36.42 68.14 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -67.63 -48.77 65.79 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -36.75 83.61 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.703 0.801 . . . . 0.0 111.037 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -56.93 -49.56 75.25 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.5 1.52 . . . . 0.0 108.831 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -72.74 -31.73 65.17 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.088 0.858 . . . . 0.0 111.012 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -51.51 68.89 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.327 0.512 . . . . 0.0 109.927 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -77.88 5.12 10.29 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.789 0 CA-C-N 120.943 1.701 . . . . 0.0 109.852 -179.331 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.5 mt -54.76 -32.68 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.506 0.722 . . . . 0.0 111.442 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -60.68 -31.38 70.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -81.37 -36.01 30.14 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 118.528 0.604 . . . . 0.0 110.308 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.54 -49.12 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -71.51 -24.02 61.89 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -51.08 67.78 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 119.242 0.928 . . . . 0.0 111.913 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.03 -42.31 54.26 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-O 122.026 0.792 . . . . 0.0 112.859 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.1 mt -59.23 -34.98 72.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 118.536 -0.745 . . . . 0.0 112.573 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -65.72 -45.96 80.73 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -58.99 -41.41 87.56 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 124.175 0.99 . . . . 0.0 110.481 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.32 -44.49 79.02 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.878 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.54 -33.21 55.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 118.872 -1.131 . . . . 0.0 110.875 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.12 -34.24 73.24 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.105 1.362 . . . . 0.0 110.801 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -97.28 6.59 48.12 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.62 1.168 . . . . 0.0 111.684 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 59.72 18.6 7.37 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.256 1.822 . . . . 0.0 112.355 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.6 -23.42 67.26 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 126.124 1.77 . . . . 0.0 110.123 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -155.68 172.48 18.23 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 124.258 1.023 . . . . 0.0 109.569 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.0 p -139.38 164.06 30.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.551 1.14 . . . . 0.0 109.725 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -58.4 -38.28 77.02 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.166 178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -72.01 -47.1 54.37 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.284 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -60.17 -48.04 83.39 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.659 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.9 mt -57.34 -50.05 78.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.39 89.97 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.151 0.98 . . . . 0.0 112.299 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.2 tp -67.41 -35.5 79.4 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 123.959 0.904 . . . . 0.0 111.688 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.47 -49.29 13.7 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 122.754 0.422 . . . . 0.0 110.841 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.6 p -74.06 -14.64 61.03 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.58 1.77 46.67 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.9 mt -82.25 164.44 21.18 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.2 m -82.85 148.74 27.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -56.95 -34.08 67.67 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.22 -37.01 80.67 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 118.791 0.723 . . . . 0.0 111.509 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.5 m -62.64 -47.28 84.4 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 118.291 -0.862 . . . . 0.0 111.866 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.6 mt -56.43 -53.87 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 119.94 1.246 . . . . 0.0 111.262 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 p -62.83 -39.67 95.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 119.293 -0.384 . . . . 0.0 111.689 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -63.68 -45.34 90.51 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -59.4 -49.25 78.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.096 1.358 . . . . 0.0 109.934 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.6 mt -60.68 -42.52 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 118.586 0.63 . . . . 0.0 109.897 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -75.42 2.05 12.41 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 117.214 -1.374 . . . . 0.0 113.14 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 57.88 44.86 19.29 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 120.659 1.572 . . . . 0.0 108.025 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.01 -6.26 7.86 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 127.349 2.26 . . . . 0.0 113.925 -178.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -80.82 157.63 25.66 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 120.725 1.602 . . . . 0.0 109.882 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -152.09 103.71 2.91 Favored 'General case' 0 CA--C 1.52 -0.192 0 O-C-N 120.982 -1.074 . . . . 0.0 108.761 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.01 107.69 0.99 Allowed Glycine 0 C--O 1.224 -0.507 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 55.98 39.33 30.54 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.034 0.917 . . . . 0.0 111.156 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -58.85 -34.6 71.76 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.108 -0.995 . . . . 0.0 110.008 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -67.2 -33.63 75.79 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.698 1.599 . . . . 0.0 110.013 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -65.31 -50.77 64.39 Favored 'General case' 0 C--N 1.341 0.198 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.26 -52.74 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.381 1.472 . . . . 0.0 110.706 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.4 p -53.83 -47.93 70.43 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.001 0.819 . . . . 0.0 110.272 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -64.24 -35.91 82.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.41 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.7 m -69.28 -36.8 77.43 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.0 mt -67.9 -32.39 72.83 Favored 'General case' 0 C--N 1.343 0.317 0 O-C-N 121.422 -0.799 . . . . 0.0 109.836 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -49.48 77.46 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.319 0.648 . . . . 0.0 111.044 178.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.7 mtt85 -59.53 -38.09 80.1 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 122.234 -0.291 . . . . 0.0 110.929 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 50.4 t90 -69.36 -42.43 75.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 118.969 -0.539 . . . . 0.0 110.12 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -36.27 83.23 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.179 0.899 . . . . 0.0 109.625 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -59.42 -46.34 88.99 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 117.153 -1.404 . . . . 0.0 109.533 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -72.34 -31.83 65.98 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.79 1.177 . . . . 0.0 111.319 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -52.24 53.45 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -92.32 2.72 56.47 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.92 0 CA-C-N 121.759 2.072 . . . . 0.0 109.889 178.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.6 m120 . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 121.724 0.773 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 mt -51.99 -42.79 35.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 125.135 1.374 . . . . 0.0 111.803 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 p -65.86 -43.53 88.15 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.347 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.88 -43.08 85.84 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 123.922 0.889 . . . . 0.0 110.387 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.03 -56.66 15.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 124.903 1.281 . . . . 0.0 108.324 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -63.58 -35.29 80.0 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 119.324 -0.95 . . . . 0.0 111.079 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.84 -17.67 65.0 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.193 0.997 . . . . 0.0 112.175 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.7 -56.23 2.15 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.5 mt -52.53 -33.58 45.97 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.907 1.683 . . . . 0.0 113.473 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -50.99 -47.98 61.41 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -57.47 -48.58 78.8 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.33 1.452 . . . . 0.0 110.296 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.36 -38.05 68.31 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.179 1.392 . . . . 0.0 113.397 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.5 m -82.17 -24.97 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 118.889 -1.124 . . . . 0.0 112.313 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -74.1 -34.91 64.11 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.81 -0.02 56.95 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.708 1.603 . . . . 0.0 112.46 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 56.96 28.67 15.07 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.765 1.226 . . . . 0.0 112.326 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.33 -12.12 48.71 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.925 1.69 . . . . 0.0 110.56 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 t -173.86 -171.21 0.63 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 129.957 3.303 . . . . 0.0 105.828 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -137.11 162.06 34.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 127.113 2.165 . . . . 0.0 106.44 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -60.04 -37.15 78.94 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -67.72 -43.52 79.8 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.94 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -66.44 -42.45 87.66 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.768 0.713 . . . . 0.0 109.451 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.6 -47.22 91.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.226 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.57 83.86 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 119.007 0.821 . . . . 0.0 110.606 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.13 -54.28 46.49 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.709 0.803 . . . . 0.0 111.476 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -72.75 -41.79 64.73 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 124.591 1.157 . . . . 0.0 113.963 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.1 p -73.77 -31.03 63.11 Favored 'General case' 0 C--N 1.333 -0.141 0 O-C-N 121.466 -0.771 . . . . 0.0 111.534 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.04 -4.41 62.8 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.0 mt -76.87 -174.04 2.91 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.902 1.681 . . . . 0.0 109.655 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -105.08 149.89 25.46 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 m -59.55 -34.43 72.67 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.452 1.101 . . . . 0.0 109.634 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.18 -50.94 54.36 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.6 m -51.9 -55.58 19.3 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.712 2.005 . . . . 0.0 112.935 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.0 mt -54.06 -55.87 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 123.57 0.748 . . . . 0.0 112.763 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -64.06 -32.11 73.54 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.883 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t -70.31 -31.72 69.16 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.686 0.675 . . . . 0.0 109.455 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -66.94 -53.05 35.63 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.9 mt -62.16 -42.66 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 123.353 0.661 . . . . 0.0 111.355 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -72.78 -3.54 25.96 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.565 0.62 . . . . 0.0 110.849 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 53.93 52.41 12.97 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 126.979 2.111 . . . . 0.0 108.627 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -127.51 -15.5 5.04 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 126.55 1.94 . . . . 0.0 111.724 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -70.55 142.6 51.76 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -142.38 84.02 1.85 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.03 88.76 0.07 OUTLIER Glycine 0 C--N 1.33 0.2 0 O-C-N 121.188 -0.945 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 60.29 53.68 4.27 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.962 1.305 . . . . 0.0 110.201 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.78 -31.71 72.52 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 124.475 1.11 . . . . 0.0 110.854 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -65.1 -35.64 81.77 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.93 0.872 . . . . 0.0 109.945 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -67.54 -35.53 79.24 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.43 -51.71 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 117.816 -1.088 . . . . 0.0 108.064 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.0 p -54.59 -45.14 73.54 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-N 119.798 1.181 . . . . 0.0 111.021 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -60.45 -36.34 77.99 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.597 0.635 . . . . 0.0 111.476 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -70.5 -39.62 74.04 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.98 -38.38 88.4 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 118.545 -0.74 . . . . 0.0 109.353 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -53.92 51.42 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 124.184 0.994 . . . . 0.0 110.351 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.28 -32.75 62.64 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -78.2 -48.69 15.28 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.99 -36.25 78.95 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.322 1.049 . . . . 0.0 111.252 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -55.48 -44.22 76.29 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.023 1.329 . . . . 0.0 110.061 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -82.72 -31.57 28.42 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.269 -0.895 . . . . 0.0 111.528 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -62.66 1.32 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.1 0.56 . . . . 0.0 109.989 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -74.9 -29.96 61.14 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.171 1.389 . . . . 0.0 111.977 -179.633 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 . . . . . 0 N--CA 1.471 0.575 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 mt -53.08 -41.9 43.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 118.488 0.586 . . . . 0.0 109.961 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.9 p -56.52 -29.35 61.77 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.264 1.025 . . . . 0.0 113.374 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -81.65 -32.63 31.79 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 123.875 0.87 . . . . 0.0 111.723 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.6 mt -63.86 -60.84 2.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 124.167 0.987 . . . . 0.0 108.383 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.1 ptt85 -60.27 -34.63 74.0 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.32 -14.53 61.0 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 117.948 -1.025 . . . . 0.0 113.516 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.03 -48.83 3.01 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.4 mt -52.76 -34.62 53.85 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.68 1.192 . . . . 0.0 112.918 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -61.16 -44.21 97.66 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.729 0.412 . . . . 0.0 109.897 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -62.82 -39.37 94.08 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.879 1.272 . . . . 0.0 108.858 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -51.77 68.3 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.077 1.351 . . . . 0.0 110.32 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.89 -30.6 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 O-C-N 121.911 -0.493 . . . . 0.0 112.051 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.2 -36.36 79.68 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 121.357 -0.839 . . . . 0.0 110.787 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -97.21 8.81 43.79 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.199 1.4 . . . . 0.0 111.692 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 56.57 24.1 8.37 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.346 1.858 . . . . 0.0 112.372 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.96 -29.72 67.37 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 125.52 1.528 . . . . 0.0 110.184 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -163.29 -179.72 6.79 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.619 1.567 . . . . 0.0 106.866 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.2 m -138.4 159.55 41.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -52.44 -38.43 59.18 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.226 0.61 . . . . 0.0 111.177 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.04 -52.57 64.73 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 123.985 0.914 . . . . 0.0 110.42 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -64.81 -52.26 57.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 117.401 -1.285 . . . . 0.0 109.192 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.7 mt -51.27 -45.46 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 120.359 1.436 . . . . 0.0 109.478 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.23 -45.54 84.25 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.376 1.07 . . . . 0.0 111.617 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.84 -41.02 99.18 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.922 0.489 . . . . 0.0 110.211 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.05 -39.93 87.0 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.626 1.571 . . . . 0.0 111.992 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.9 p -93.86 -8.04 41.5 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.3 5.34 62.56 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.862 1.22 . . . . 0.0 111.043 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.9 mt -82.16 171.94 13.74 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.089 1.444 . . . . 0.0 108.677 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.97 145.57 27.06 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.7 p -61.12 -35.01 75.88 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.309 -0.869 . . . . 0.0 113.088 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.41 -21.18 79.21 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-N 119.14 0.882 . . . . 0.0 112.6 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.9 m -70.21 -53.83 15.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 118.107 0.953 . . . . 0.0 109.898 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.2 mt -54.29 -51.8 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 C-N-CA 124.166 0.986 . . . . 0.0 110.833 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.4 p -60.47 -39.29 87.09 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 111.527 0.195 . . . . 0.0 111.527 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 t -67.55 -43.83 79.77 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.61 0.364 . . . . 0.0 110.268 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.1 -48.44 76.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 126.126 1.77 . . . . 0.0 109.136 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.5 -32.91 52.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 124.582 1.153 . . . . 0.0 111.535 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -88.16 1.79 53.6 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.642 1.177 . . . . 0.0 112.129 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.94 35.32 16.32 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 128.489 2.716 . . . . 0.0 110.924 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -120.86 5.31 10.46 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.15 1.38 . . . . 0.0 114.072 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -70.16 98.76 1.39 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 120.458 1.481 . . . . 0.0 108.589 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -79.46 71.09 6.01 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.9 -165.17 18.33 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 125.414 1.483 . . . . 0.0 109.595 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -71.56 87.97 0.92 Allowed 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.205 1.402 . . . . 0.0 109.179 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -70.81 -31.35 68.07 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 117.031 -1.461 . . . . 0.0 111.319 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -59.33 -35.08 73.18 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 119.313 0.961 . . . . 0.0 110.318 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -74.09 -45.37 49.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 82.5 t -61.34 -49.94 82.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.062 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.7 p -54.32 -54.01 46.15 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.113 0.965 . . . . 0.0 108.523 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -56.18 -40.47 74.01 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 117.541 -1.219 . . . . 0.0 112.637 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.6 m -69.77 -38.36 76.71 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 120.144 1.338 . . . . 0.0 109.27 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.75 -32.03 72.36 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 117.651 -1.166 . . . . 0.0 109.836 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -61.01 -51.77 67.82 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.759 1.163 . . . . 0.0 109.589 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -56.82 -46.16 81.83 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -60.94 -47.28 87.17 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.647 0.379 . . . . 0.0 110.197 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.99 -35.97 82.44 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.029 1.331 . . . . 0.0 111.811 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -60.93 -40.49 93.4 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -78.38 -37.83 43.24 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 119.179 0.899 . . . . 0.0 110.147 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.44 -49.0 77.65 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 119.03 0.832 . . . . 0.0 110.685 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -75.58 0.26 18.03 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.203 0 CA-C-N 120.754 1.615 . . . . 0.0 109.932 -179.244 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 . . . . . 0 CA--C 1.536 0.421 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' A' ' 6' ' ' ILE . 8.3 mt -52.7 -39.03 29.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 124.244 1.018 . . . . 0.0 109.423 178.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 t -60.52 -35.53 76.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.639 1.176 . . . . 0.0 110.881 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -72.58 -33.25 66.62 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 120.843 -1.16 . . . . 0.0 110.58 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 3' ' ' ILE . 57.9 mt -59.17 -54.83 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -59.93 -41.8 92.56 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.656 -0.418 . . . . 0.0 109.945 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.18 -13.83 51.18 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.863 1.265 . . . . 0.0 113.498 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.72 -52.78 1.76 Allowed Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 107.027 -2.429 . . . . 0.0 107.027 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.434 HD11 HD13 ' A' ' 54' ' ' LEU . 40.4 mt -52.94 -35.53 58.74 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.447 1.099 . . . . 0.0 112.143 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -57.11 -46.95 82.19 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.7 m -57.95 -45.13 87.13 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.047 0.939 . . . . 0.0 110.014 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.74 -45.59 93.71 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.887 0.875 . . . . 0.0 111.198 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.4 m -77.75 -34.24 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 119.684 1.129 . . . . 0.0 112.092 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.88 -32.46 74.18 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 121.078 -1.014 . . . . 0.0 112.356 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -99.45 14.83 28.44 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.735 0.698 . . . . 0.0 111.402 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 52.8 38.8 27.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.386 1.474 . . . . 0.0 110.434 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.95 -44.14 41.37 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -151.91 144.65 24.32 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.3 p -88.74 165.42 14.73 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.91 0.386 . . . . 0.0 110.202 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -57.12 -37.48 72.03 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -63.0 -53.28 56.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.3 1.04 . . . . 0.0 109.562 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.531 HE21 ' HG3' ' A' ' 27' ' ' GLU . 50.0 tp60 -59.64 -45.2 92.69 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.543 -0.741 . . . . 0.0 111.343 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.59 -45.65 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.29 97.47 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 121.369 -0.832 . . . . 0.0 111.309 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -59.15 -43.95 92.07 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 124.662 1.185 . . . . 0.0 110.054 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.531 ' HG3' HE21 ' A' ' 23' ' ' GLN . 66.3 mt-10 -76.75 -44.61 32.42 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.406 1.083 . . . . 0.0 112.88 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.7 p -78.24 -12.88 60.03 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.81 2.39 81.32 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 121.203 -0.935 . . . . 0.0 111.325 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.7 mt -85.24 -175.3 5.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.6 t -104.78 153.11 21.74 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.6 p -58.79 -42.11 88.3 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.43 -53.01 49.74 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-O 117.95 -1.472 . . . . 0.0 109.459 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.6 m -45.89 -55.34 6.83 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 124.963 1.305 . . . . 0.0 110.601 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.2 mt -55.65 -57.18 8.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 C-N-CA 124.131 0.972 . . . . 0.0 110.959 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 p -56.97 -37.48 71.66 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -44.0 68.07 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.077 1.351 . . . . 0.0 110.669 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.62 -38.46 81.38 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 126.311 1.844 . . . . 0.0 109.953 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.77 -52.02 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 C-N-CA 124.853 1.261 . . . . 0.0 108.485 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -71.85 13.51 0.28 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 61.52 15.46 6.74 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.377 -1.452 . . . . 0.0 112.936 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -93.73 -23.52 18.18 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 120.5 -1.375 . . . . 0.0 113.034 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.4 ' CE2' HG21 ' A' ' 50' ' ' VAL . 34.5 t80 -64.92 145.71 55.94 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 120.095 1.316 . . . . 0.0 109.124 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -150.59 146.06 26.3 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.531 1.132 . . . . 0.0 108.058 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.52 -97.37 0.29 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 107.261 -2.336 . . . . 0.0 107.261 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -125.06 66.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.938 1.695 . . . . 0.0 109.857 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -54.34 -32.11 55.98 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 114.36 -1.291 . . . . 0.0 110.83 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -66.11 -34.53 78.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.312 1.845 . . . . 0.0 110.624 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -75.23 -39.89 59.53 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 119.418 -2.052 . . . . 0.0 108.325 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.4 HG21 ' CE2' ' A' ' 43' ' ' TYR . 79.4 t -64.3 -47.78 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 81.5 p -57.71 -50.1 74.32 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -58.39 -39.25 79.15 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.42 0.688 . . . . 0.0 111.622 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.1 m -65.2 -38.79 91.56 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.434 HD13 HD11 ' A' ' 10' ' ' LEU . 84.2 mt -69.03 -44.04 73.51 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.31 -0.853 . . . . 0.0 108.821 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.36 -47.38 66.15 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 124.098 0.959 . . . . 0.0 111.502 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -61.27 -42.97 99.53 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 118.76 0.709 . . . . 0.0 111.584 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -63.47 -49.73 72.47 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.808 0.843 . . . . 0.0 109.303 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -36.44 75.2 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 126.296 1.839 . . . . 0.0 112.303 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.58 -43.9 95.65 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.514 1.126 . . . . 0.0 110.558 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -31.13 57.28 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.72 1.145 . . . . 0.0 109.466 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -58.12 9.18 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 118.726 -0.654 . . . . 0.0 110.107 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -82.59 9.93 8.42 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.144 0 O-C-N 120.358 -1.464 . . . . 0.0 107.398 179.353 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.6 mm -52.54 -44.89 46.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 124.071 0.948 . . . . 0.0 110.373 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.1 t -60.99 -45.09 96.19 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 119.144 -0.455 . . . . 0.0 110.327 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.33 -42.18 98.94 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.628 0.771 . . . . 0.0 110.671 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.83 -57.13 10.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 C-N-CA 125.526 1.53 . . . . 0.0 107.055 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -67.61 -31.28 71.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.272 0.942 . . . . 0.0 112.29 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.84 -40.28 75.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 119.028 0.831 . . . . 0.0 110.973 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.17 -46.65 78.27 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.2 mt -56.96 -46.93 81.79 Favored 'General case' 0 CA--C 1.516 -0.327 0 O-C-N 121.905 -0.762 . . . . 0.0 112.313 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.23 -40.6 94.64 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.765 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -65.23 -42.77 93.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 119.161 0.892 . . . . 0.0 109.644 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.499 ' HB3' HG22 ' A' ' 19' ' ' THR . 90.3 mt -60.91 -46.85 89.03 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.702 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -75.23 -30.68 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 120.603 1.547 . . . . 0.0 112.176 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -67.77 -23.01 65.17 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.746 0.818 . . . . 0.0 111.852 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -108.8 11.38 26.29 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 125.803 1.641 . . . . 0.0 110.91 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 60.66 14.88 5.31 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.13 1.772 . . . . 0.0 113.503 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.9 -23.48 67.24 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.026 1.33 . . . . 0.0 111.686 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 13' ' ' LEU . 4.8 t -153.03 -175.62 5.41 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.947 2.099 . . . . 0.0 108.471 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.4 m -147.84 152.45 37.66 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -52.61 -41.81 64.03 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.336 0.971 . . . . 0.0 112.235 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -64.57 -37.8 88.79 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-O 118.988 -0.53 . . . . 0.0 110.931 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -67.13 -48.32 68.41 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.3 mt -55.49 -46.58 78.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.6 84.85 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.126 0.876 . . . . 0.0 111.918 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.76 -46.97 87.54 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.653 0.781 . . . . 0.0 112.194 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -74.8 -44.41 49.59 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.616 0.766 . . . . 0.0 112.083 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.8 p -73.0 -31.7 64.66 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.229 -0.919 . . . . 0.0 112.065 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.1 0.63 80.45 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 125.829 1.68 . . . . 0.0 110.666 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.4 mt -88.71 167.82 13.01 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.729 1.265 . . . . 0.0 108.551 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -76.19 154.31 35.44 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.4 p -61.04 -36.36 79.35 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.85 -46.32 93.85 Favored Glycine 0 C--N 1.339 0.744 0 CA-C-O 118.316 -1.269 . . . . 0.0 110.759 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.7 m -52.2 -52.2 53.61 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.323 1.049 . . . . 0.0 110.276 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.7 mt -54.2 -56.93 7.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 124.014 0.926 . . . . 0.0 110.12 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 p -57.67 -39.9 78.16 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -46.35 80.31 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 122.999 0.519 . . . . 0.0 111.494 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.8 -44.66 86.45 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.927 1.291 . . . . 0.0 109.958 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.7 mt -65.09 -45.7 93.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -75.55 0.62 16.71 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t70 60.36 30.28 19.68 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.787 1.176 . . . . 0.0 109.768 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -117.68 4.75 12.31 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.284 1.834 . . . . 0.0 113.353 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -63.06 155.54 27.45 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.251 0.932 . . . . 0.0 110.258 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -56.06 -50.91 69.65 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.381 1.073 . . . . 0.0 113.204 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.88 -177.75 32.8 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 61.04 38.88 16.93 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 123.154 1.454 . . . . 0.0 108.565 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -53.47 -31.2 44.66 Favored 'General case' 0 C--N 1.339 0.119 0 C-N-CA 127.304 2.241 . . . . 0.0 112.418 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -59.99 -34.14 72.91 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -68.97 -34.51 75.43 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.376 -1.452 . . . . 0.0 109.083 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.16 -52.97 25.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 124.353 1.061 . . . . 0.0 109.637 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.3 p -51.8 -50.41 60.82 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.475 1.11 . . . . 0.0 111.544 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -61.3 -29.55 69.94 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.725 0.81 . . . . 0.0 112.351 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.5 m -79.72 -37.91 34.54 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.6 mt -73.23 -31.25 64.03 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.973 1.309 . . . . 0.0 110.539 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -58.92 6.53 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.795 1.238 . . . . 0.0 108.46 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -55.78 -39.99 72.04 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 118.988 -0.529 . . . . 0.0 111.862 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -62.85 -48.28 79.74 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 123.926 0.766 . . . . 0.0 110.685 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -39.76 78.35 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.22 -41.68 89.22 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.431 0.457 . . . . 0.0 109.786 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -31.41 61.76 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-O 119.138 -0.458 . . . . 0.0 110.193 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -48.74 80.49 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -74.22 8.54 2.1 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.49 0.716 . . . . 0.0 112.708 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 C-N-CA 126.028 1.731 . . . . 0.0 107.006 179.366 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.2 m120 . . . . . 0 CA--C 1.514 -0.424 0 CA-C-O 122.222 1.01 . . . . 0.0 108.703 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 mt -58.53 -32.82 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.662 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.1 m -62.6 -34.75 77.65 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.295 1.038 . . . . 0.0 109.903 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -71.84 -42.4 66.99 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 119.66 1.118 . . . . 0.0 109.676 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -52.03 -56.61 5.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 C-N-CA 124.247 1.019 . . . . 0.0 108.853 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 ptt-85 -67.67 -31.61 71.71 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 118.42 -0.8 . . . . 0.0 111.972 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.77 88.89 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 119.149 0.886 . . . . 0.0 111.431 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.57 93.65 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.3 -34.12 75.99 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.742 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -57.93 -50.76 72.24 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -54.2 -47.57 71.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.0 1.32 . . . . 0.0 109.919 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.21 -49.14 74.94 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.419 0.688 . . . . 0.0 111.373 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -77.64 -32.39 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 118.184 -0.913 . . . . 0.0 113.26 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.23 -33.55 76.07 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.216 1.406 . . . . 0.0 109.51 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -97.75 11.38 37.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.4 1.08 . . . . 0.0 110.363 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 47.3 29.68 1.31 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.32 2.248 . . . . 0.0 113.532 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -59.57 -36.52 76.38 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.943 1.697 . . . . 0.0 108.021 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 t -153.99 175.6 13.19 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 125.425 1.49 . . . . 0.0 107.852 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.96 153.52 37.17 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.145 1.778 . . . . 0.0 106.774 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -52.12 -39.25 59.58 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.707 1.139 . . . . 0.0 112.631 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -50.98 67.64 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.045 0.938 . . . . 0.0 111.405 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -63.48 -38.84 92.68 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.993 -0.527 . . . . 0.0 109.92 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 69.7 mt -58.99 -46.05 91.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.449 ' HA ' HD11 ' A' ' 35' ' ' ILE . . . -60.67 -49.36 77.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.287 0.949 . . . . 0.0 111.399 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.9 tp -54.4 -51.22 65.55 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.221 1.008 . . . . 0.0 111.21 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -79.9 -23.03 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.4 p -93.03 -21.08 19.95 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.676 1.126 . . . . 0.0 112.207 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.54 -0.92 78.21 Favored Glycine 0 CA--C 1.536 1.402 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.0 mt -89.17 -172.68 3.75 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.531 1.532 . . . . 0.0 107.187 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 t -115.81 148.86 39.42 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -50.92 61.85 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.458 1.503 . . . . 0.0 110.42 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.6 -38.44 87.67 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 119.151 -0.805 . . . . 0.0 111.963 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.3 m -67.3 -54.33 21.73 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.595 1.158 . . . . 0.0 109.756 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.449 HD11 ' HA ' ' A' ' 25' ' ' ALA . 27.9 mt -54.02 -54.28 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.118 0.967 . . . . 0.0 109.611 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -54.79 -44.17 73.51 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 123.962 0.905 . . . . 0.0 110.071 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -69.81 -37.73 76.36 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.358 0.526 . . . . 0.0 111.517 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -61.99 -45.77 92.17 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.78 -47.88 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -70.38 1.05 5.42 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.625 1.17 . . . . 0.0 112.135 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.06 -1.64 1.38 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 127.129 2.172 . . . . 0.0 112.148 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -71.89 -25.44 61.93 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 127.824 2.449 . . . . 0.0 115.121 -177.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -63.76 149.09 47.57 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -153.96 97.4 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.89 92.94 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 49.05 47.38 21.92 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.748 1.219 . . . . 0.0 110.04 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -55.76 -31.46 62.59 Favored 'General case' 0 C--O 1.23 0.054 0 C-N-CA 124.188 0.995 . . . . 0.0 113.497 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.8 -36.75 84.94 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.406 1.003 . . . . 0.0 109.628 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -63.21 -37.92 89.13 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.4 t -65.02 -52.65 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 117.362 -1.304 . . . . 0.0 108.11 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.4 p -54.81 -51.99 64.09 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 120.044 1.293 . . . . 0.0 110.234 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -55.76 -40.23 72.29 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.004 0.922 . . . . 0.0 111.488 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.0 m -68.66 -37.66 79.81 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.524 0.602 . . . . 0.0 110.084 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.5 mt -67.13 -36.32 81.64 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 118.267 -0.873 . . . . 0.0 109.168 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -57.7 -50.33 73.56 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 123.304 0.642 . . . . 0.0 109.697 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -58.51 -44.14 89.36 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 122.349 0.26 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -64.09 -45.7 87.55 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 118.688 -0.672 . . . . 0.0 109.499 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.61 -37.22 85.41 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 123.932 0.893 . . . . 0.0 110.823 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.91 -42.27 98.89 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.749 0.82 . . . . 0.0 108.834 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -72.94 -30.41 63.84 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.339 -0.851 . . . . 0.0 110.712 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -61.63 1.82 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.735 1.214 . . . . 0.0 113.2 -179.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -67.22 -14.82 63.27 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 117.329 2.344 . . . . 0.0 117.329 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.954 0 CA-C-N 120.798 1.635 . . . . 0.0 111.09 -179.359 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.6 p-10 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.4 mt -49.84 -40.84 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 124.668 1.187 . . . . 0.0 112.005 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 m -65.51 -41.99 92.55 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.158 0.583 . . . . 0.0 112.484 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -74.15 -38.08 63.84 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.247 0.93 . . . . 0.0 109.426 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -51.7 -55.29 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 ptt-85 -67.73 -27.23 66.62 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 118.413 -0.803 . . . . 0.0 112.18 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.46 -30.35 69.61 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.205 0.912 . . . . 0.0 111.587 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.81 -42.9 19.55 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.4 mt -58.6 -42.79 88.95 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 118.314 -0.851 . . . . 0.0 112.911 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -55.72 -44.09 77.14 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 124.124 0.89 . . . . 0.0 109.333 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -57.92 -48.43 79.92 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.35 0.977 . . . . 0.0 110.516 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.37 -46.88 85.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.978 0.911 . . . . 0.0 111.497 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.63 -32.4 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 121.06 -1.025 . . . . 0.0 112.245 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.33 -24.79 67.36 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.875 1.27 . . . . 0.0 111.935 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -109.21 10.92 25.72 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.646 0.778 . . . . 0.0 111.871 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 56.31 24.03 7.85 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.637 1.975 . . . . 0.0 112.655 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.26 -22.52 66.92 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 126.577 1.951 . . . . 0.0 113.057 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -157.82 -166.57 2.02 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 127.8 2.44 . . . . 0.0 105.263 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 m -144.64 151.86 39.61 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 120.403 -1.436 . . . . 0.0 107.581 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -52.53 -34.42 49.82 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.567 1.076 . . . . 0.0 112.432 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -62.84 -47.0 85.29 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 118.215 0.461 . . . . 0.0 111.316 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.63 -43.71 88.68 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.024 -0.989 . . . . 0.0 108.945 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 54.6 mt -56.8 -47.56 82.61 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.2 71.03 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.392 1.077 . . . . 0.0 111.276 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.27 -42.26 95.03 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.951 1.3 . . . . 0.0 112.709 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.29 -43.63 50.06 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.071 1.348 . . . . 0.0 111.835 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.8 p -73.52 -36.08 65.67 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.33 -0.856 . . . . 0.0 111.516 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.25 16.95 38.66 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 125.651 1.596 . . . . 0.0 110.206 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.7 mt -104.73 167.17 9.89 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 126.277 1.831 . . . . 0.0 107.578 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 p -88.05 155.29 19.88 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.2 p -59.36 -31.42 69.18 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.026 -1.046 . . . . 0.0 111.954 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.63 -40.68 58.6 Favored Glycine 0 C--N 1.338 0.681 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.1 m -57.65 -52.46 65.32 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 117.726 0.763 . . . . 0.0 110.633 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -56.68 -49.19 79.08 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 C-N-CA 123.31 0.644 . . . . 0.0 109.574 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.3 t -59.24 -44.47 92.35 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.537 0.608 . . . . 0.0 110.978 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -67.66 -30.16 69.63 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.468 -0.77 . . . . 0.0 110.494 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -70.64 -48.63 53.98 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.01 -41.87 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -73.29 -3.81 29.28 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.565 0.746 . . . . 0.0 110.592 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 t70 58.67 19.88 7.21 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.258 2.623 . . . . 0.0 113.101 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -85.12 -27.96 25.89 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 126.377 1.871 . . . . 0.0 112.539 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -60.23 140.58 56.93 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -144.66 108.09 4.61 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.99 92.58 2.19 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-O 118.343 -1.254 . . . . 0.0 110.523 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 107.22 17.63 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 130.591 3.556 . . . . 0.0 110.651 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -55.01 -33.98 63.08 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.345 1.058 . . . . 0.0 110.934 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -68.47 -45.14 73.22 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.947 0.794 . . . . 0.0 109.421 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.3 ttt85 -56.36 -51.2 69.17 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.266 0.626 . . . . 0.0 109.593 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.9 t -62.4 -52.81 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 123.201 0.6 . . . . 0.0 109.947 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.5 p -57.99 -43.29 86.47 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.912 0.778 . . . . 0.0 112.158 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -64.3 -29.07 70.16 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.907 1.23 . . . . 0.0 111.119 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.2 m -74.8 -39.81 61.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.4 mt -71.43 -31.23 66.97 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.731 0.812 . . . . 0.0 109.982 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -58.74 -57.49 12.79 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 124.575 1.15 . . . . 0.0 108.822 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 mtp85 -55.75 -45.11 78.13 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 123.339 0.399 . . . . 0.0 111.113 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.441 ' CZ2' ' CE1' ' A' ' 61' ' ' TYR . 86.0 t90 -58.09 -48.36 80.39 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.603 0.761 . . . . 0.0 111.233 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -37.23 72.74 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.286 1.034 . . . . 0.0 112.131 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.87 -50.19 73.23 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -30.29 70.44 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.343 0.657 . . . . 0.0 111.042 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.441 ' CE1' ' CZ2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -59.6 -31.86 69.87 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.265 -0.897 . . . . 0.0 109.474 178.725 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -111.47 7.93 20.93 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.334 1.854 . . . . 0.0 113.331 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.793 0 CA-C-N 120.098 1.317 . . . . 0.0 109.062 179.792 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 . . . . . 0 N--CA 1.466 0.341 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.4 mt -49.24 -43.53 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.984 1.314 . . . . 0.0 112.691 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -29.0 70.33 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.93 -47.65 36.16 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.362 1.065 . . . . 0.0 108.692 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.0 mt -50.89 -60.53 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 126.127 1.771 . . . . 0.0 108.25 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -64.17 -26.0 68.33 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 118.371 -0.823 . . . . 0.0 112.931 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.63 -20.53 61.96 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.339 0.972 . . . . 0.0 112.098 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.39 -47.18 3.85 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.2 mt -57.76 -34.72 69.85 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.576 -0.955 . . . . 0.0 113.177 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -59.71 -45.35 92.41 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.508 0.595 . . . . 0.0 109.675 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 m -64.22 -42.59 96.5 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.124 1.369 . . . . 0.0 109.014 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -46.77 83.94 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.796 0.838 . . . . 0.0 111.791 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.63 -37.47 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 C-N-CA 118.66 -1.216 . . . . 0.0 111.228 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -63.88 -32.71 74.32 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.31 0.644 . . . . 0.0 110.87 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -92.31 4.8 52.59 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.227 1.011 . . . . 0.0 111.171 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 52.74 33.95 15.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.29 1.036 . . . . 0.0 111.279 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.78 -18.25 64.8 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.79 1.236 . . . . 0.0 109.686 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 t -171.28 -168.21 0.61 Allowed 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 128.925 2.89 . . . . 0.0 106.363 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.5 p -135.56 160.3 38.92 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.885 1.674 . . . . 0.0 107.202 177.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -53.59 -36.22 61.7 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 122.067 -0.396 . . . . 0.0 110.515 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.421 ' HA ' HG22 ' A' ' 32' ' ' THR . 36.6 ttmt -68.67 -49.68 57.09 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 117.923 -1.037 . . . . 0.0 111.021 179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -60.24 -38.22 82.78 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.109 0.868 . . . . 0.0 110.399 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.8 mt -62.66 -47.4 93.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.25 79.89 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.569 0.747 . . . . 0.0 111.472 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.52 -56.64 17.82 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.935 1.294 . . . . 0.0 109.295 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.48 -45.15 84.8 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.836 1.254 . . . . 0.0 113.909 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.2 p -77.69 -19.91 54.54 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.58 -3.11 87.31 Favored Glycine 0 CA--C 1.538 1.474 0 O-C-N 121.234 -0.916 . . . . 0.0 110.921 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.4 mt -82.9 178.27 8.24 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 119.137 1.469 . . . . 0.0 110.023 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 t -91.98 150.2 21.13 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 22' ' ' LYS . 71.8 p -60.18 -42.93 96.06 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 122.885 0.474 . . . . 0.0 110.467 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.77 -36.15 86.68 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 124.138 0.875 . . . . 0.0 111.586 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.2 m -60.57 -49.26 78.27 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 117.734 0.767 . . . . 0.0 110.187 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.1 mt -54.59 -52.17 43.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 118.657 0.662 . . . . 0.0 110.173 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.0 p -61.25 -44.84 96.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.991 -0.528 . . . . 0.0 111.895 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 t -62.37 -36.4 82.16 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.253 0.621 . . . . 0.0 110.61 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -66.53 -51.02 61.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 121.282 -0.886 . . . . 0.0 109.587 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.47 -42.06 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 123.771 0.828 . . . . 0.0 109.821 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -70.09 -10.08 57.56 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.787 1.235 . . . . 0.0 111.427 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.9 t70 59.99 47.9 9.29 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 128.183 2.593 . . . . 0.0 110.768 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -131.98 -1.97 3.67 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.548 1.939 . . . . 0.0 113.128 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -61.11 135.6 57.81 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 119.5 1.045 . . . . 0.0 111.225 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -113.48 110.18 19.87 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 125.279 1.432 . . . . 0.0 107.223 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 153.58 -145.81 13.54 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 108.66 -1.776 . . . . 0.0 108.66 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -85.36 77.51 9.93 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -53.93 -32.76 54.7 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.693 -0.629 . . . . 0.0 110.085 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.69 -41.67 87.68 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.013 1.325 . . . . 0.0 110.745 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -55.93 -51.92 65.93 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.9 t -58.78 -53.48 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 O-C-N 124.643 1.214 . . . . 0.0 109.193 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -52.09 -54.35 31.34 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.497 1.119 . . . . 0.0 111.313 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -60.36 -37.46 80.78 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.903 -0.498 . . . . 0.0 111.662 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.7 m -68.48 -30.3 69.11 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.385 -0.822 . . . . 0.0 109.894 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.5 mt -76.38 -37.54 57.04 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-O 118.056 -0.973 . . . . 0.0 108.672 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -50.95 -51.84 48.4 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.255 1.022 . . . . 0.0 110.372 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 mmm-85 -56.95 -48.78 77.51 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 123.495 0.718 . . . . 0.0 110.82 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.42 ' CZ2' ' CE1' ' A' ' 61' ' ' TYR . 85.8 t90 -63.6 -44.08 95.02 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 119.543 -0.265 . . . . 0.0 110.834 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.86 -35.39 79.84 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 120.978 -1.076 . . . . 0.0 110.625 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.86 -46.28 88.62 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.318 0.647 . . . . 0.0 109.892 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -31.24 70.97 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.291 0.95 . . . . 0.0 110.102 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.42 ' CE1' ' CZ2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -72.31 -65.66 0.75 Allowed 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -179.442 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -79.21 -3.45 45.8 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 117.582 2.438 . . . . 0.0 117.582 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.413 0 CA-C-N 123.664 2.938 . . . . 0.0 113.151 -178.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.9 p30 . . . . . 0 N--CA 1.466 0.37 0 CA-C-O 119.732 -0.175 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.8 mt -45.54 -48.89 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.626 1.571 . . . . 0.0 113.491 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.5 t -59.94 -38.75 83.31 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.779 0.832 . . . . 0.0 110.873 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.22 -40.86 64.37 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.768 -0.582 . . . . 0.0 109.982 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.09 -57.05 13.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 C-N-CA 124.989 1.316 . . . . 0.0 107.493 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -60.76 -37.77 82.96 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.645 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -36.49 75.78 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-O 118.0 -1.0 . . . . 0.0 111.194 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.04 -44.27 91.78 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.125 -1.59 . . . . 0.0 109.125 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.6 mt -57.26 -34.62 68.82 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.676 -0.897 . . . . 0.0 113.184 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -50.39 -50.33 51.95 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.576 1.15 . . . . 0.0 111.268 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.94 -46.55 88.84 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.055 0.942 . . . . 0.0 110.741 -178.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.92 -41.14 82.05 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.08 0.952 . . . . 0.0 111.354 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.7 m -81.96 -26.68 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 119.794 1.179 . . . . 0.0 111.647 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.46 -39.94 70.62 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 124.384 1.074 . . . . 0.0 111.679 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -88.56 7.36 33.58 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 54.67 29.29 11.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.953 2.501 . . . . 0.0 111.758 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.5 -26.54 67.97 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.144 1.377 . . . . 0.0 110.073 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.4 t -159.88 175.53 12.97 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.009 1.724 . . . . 0.0 108.788 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.1 m -135.25 158.85 43.32 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.208 1.803 . . . . 0.0 107.054 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -52.35 -30.69 29.87 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.212 -0.93 . . . . 0.0 112.411 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -62.67 -53.58 52.4 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 124.644 1.177 . . . . 0.0 110.473 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.467 HE21 ' HG2' ' A' ' 27' ' ' GLU . 37.0 tp60 -66.46 -42.67 87.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.416 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.0 mt -60.91 -46.41 96.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.65 -51.75 67.52 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 124.358 1.063 . . . . 0.0 110.644 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -56.96 -38.44 72.96 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HG2' HE21 ' A' ' 23' ' ' GLN . 8.4 mm-40 -85.99 -38.01 18.37 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 p -76.19 -35.98 58.85 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.108 0.963 . . . . 0.0 110.899 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.36 -3.64 56.64 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 127.02 2.248 . . . . 0.0 110.673 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.5 mt -85.66 167.28 15.46 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 120.089 1.944 . . . . 0.0 111.074 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 t -75.96 144.92 40.72 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.0 p -56.84 -42.55 79.85 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 110.165 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.54 -37.42 89.67 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-O 118.682 -1.066 . . . . 0.0 111.44 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.7 m -62.11 -51.64 67.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 117.695 -1.145 . . . . 0.0 108.956 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.54 -50.09 74.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 119.705 1.139 . . . . 0.0 109.258 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -59.13 -41.73 88.94 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.509 -0.745 . . . . 0.0 111.595 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.68 -41.0 92.95 Favored 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 120.964 -1.085 . . . . 0.0 108.853 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -57.94 -53.32 59.6 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.761 1.225 . . . . 0.0 109.594 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 25.2 mt -58.11 -46.94 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 120.098 1.317 . . . . 0.0 110.574 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.56 1.36 16.98 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 118.511 -0.757 . . . . 0.0 112.848 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.4 t70 55.46 33.08 20.23 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.085 1.754 . . . . 0.0 112.35 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -100.68 -1.45 35.16 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 126.36 1.864 . . . . 0.0 110.711 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -63.17 159.6 17.23 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 118.167 0.44 . . . . 0.0 111.35 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -60.78 -75.21 0.07 Allowed 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.489 1.116 . . . . 0.0 110.63 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.72 -177.82 47.6 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 106.893 -2.483 . . . . 0.0 106.893 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 63.91 34.48 11.61 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.5 -31.26 61.89 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 126.929 2.092 . . . . 0.0 109.083 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -55.07 -41.35 71.39 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.46 1.504 . . . . 0.0 111.472 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -65.7 -38.03 88.09 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.048 -1.658 . . . . 0.0 109.383 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.33 -52.87 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.1 p -59.03 -47.44 85.22 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 119.343 0.974 . . . . 0.0 110.622 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -57.23 -36.3 70.74 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.611 0.764 . . . . 0.0 110.26 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.8 m -72.82 -36.19 67.46 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.78 -34.95 77.78 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 116.379 -1.772 . . . . 0.0 110.378 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -54.0 -47.62 71.26 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 119.682 1.128 . . . . 0.0 110.134 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -57.58 -40.57 79.29 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.623 0.647 . . . . 0.0 112.432 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -73.1 -50.93 20.03 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.959 -0.463 . . . . 0.0 110.427 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.3 -36.07 79.07 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 124.564 1.146 . . . . 0.0 113.553 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -62.03 -48.37 80.56 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.252 0.621 . . . . 0.0 110.214 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -69.7 -30.99 68.77 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 118.379 0.536 . . . . 0.0 110.495 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.27 -59.34 3.81 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 123.305 0.642 . . . . 0.0 110.516 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -77.37 -1.07 28.18 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.217 0 CA-C-N 120.029 1.286 . . . . 0.0 107.747 179.592 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 120.485 0.183 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 mm -47.1 -46.9 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 126.712 2.005 . . . . 0.0 111.69 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.8 p -64.06 -30.86 71.9 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -79.23 -39.92 31.94 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.27 -54.43 32.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 C-N-CA 125.616 1.566 . . . . 0.0 108.133 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -60.14 -39.36 86.05 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.267 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.21 83.24 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.382 1.073 . . . . 0.0 112.261 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.67 97.9 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.427 HD11 HD13 ' A' ' 54' ' ' LEU . 47.8 mt -61.0 -34.27 74.54 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 122.108 -0.643 . . . . 0.0 112.02 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -48.05 81.35 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 118.092 -0.956 . . . . 0.0 108.813 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 m -54.1 -43.39 70.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.485 0.584 . . . . 0.0 111.915 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.94 -54.36 46.98 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.57 0.748 . . . . 0.0 110.285 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.79 -34.53 61.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.345 -0.847 . . . . 0.0 111.939 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.84 -26.56 68.2 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.323 1.449 . . . . 0.0 111.401 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -105.35 8.35 33.69 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.296 1.438 . . . . 0.0 110.934 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 59.47 19.95 8.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.8 2.04 . . . . 0.0 112.749 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -55.9 -42.69 76.4 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 127.752 2.421 . . . . 0.0 113.939 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 t -154.47 143.55 21.11 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 p -79.39 157.63 27.56 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.422 0.63 . . . . 0.0 110.782 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -54.83 -30.91 58.57 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.963 0.905 . . . . 0.0 110.255 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -72.09 -48.85 40.98 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 126.664 1.986 . . . . 0.0 109.713 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -57.84 -44.83 86.78 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 83.0 mt -56.71 -43.33 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.74 -48.24 77.84 Favored 'General case' 0 C--N 1.339 0.112 0 O-C-N 121.323 -0.861 . . . . 0.0 112.141 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -47.16 86.88 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.372 0.606 . . . . 0.0 109.968 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HB2' ' HE1' ' A' ' 57' ' ' TRP . 17.8 mt-10 -70.54 -42.64 70.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.5 p -76.2 -22.48 55.23 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 119.533 1.06 . . . . 0.0 111.713 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.33 -0.74 89.27 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.288 1.423 . . . . 0.0 111.349 -178.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.2 mt -86.75 165.56 15.95 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.7 p -81.63 163.12 22.78 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 119.45 -0.9 . . . . 0.0 108.627 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -46.61 89.53 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 177.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.69 -44.64 69.34 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-O 118.756 -1.025 . . . . 0.0 111.021 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.2 m -53.36 -55.54 24.03 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.231 0.613 . . . . 0.0 111.557 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.4 mt -53.94 -55.22 15.06 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 C-N-CA 124.336 1.054 . . . . 0.0 111.159 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 p -61.72 -41.71 97.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 t -67.35 -37.62 83.53 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -65.52 -47.47 75.85 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.703 1.201 . . . . 0.0 109.11 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.1 mt -63.89 -37.89 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 118.648 0.658 . . . . 0.0 109.949 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -83.72 4.63 27.94 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.879 0.872 . . . . 0.0 111.204 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 61.82 3.05 0.82 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 129.044 2.938 . . . . 0.0 113.01 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -73.08 -15.26 61.5 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.299 1.839 . . . . 0.0 112.821 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -65.96 91.07 0.14 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 119.95 1.25 . . . . 0.0 112.204 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -87.39 70.29 9.94 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.12 -154.51 6.75 Favored Glycine 0 CA--C 1.519 0.322 0 N-CA-C 108.902 -1.679 . . . . 0.0 108.902 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -73.18 66.57 0.88 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.046 1.738 . . . . 0.0 109.863 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -50.68 -42.46 56.84 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.383 1.873 . . . . 0.0 112.45 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -69.28 -35.56 76.17 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.772 0.714 . . . . 0.0 112.2 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -68.28 -41.41 81.05 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 120.451 -1.405 . . . . 0.0 108.035 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.52 -50.64 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.8 p -55.82 -51.39 67.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.108 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -56.71 -39.82 74.55 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 118.956 0.798 . . . . 0.0 111.225 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.9 m -68.01 -30.73 70.05 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.258 0.481 . . . . 0.0 109.915 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.427 HD13 HD11 ' A' ' 10' ' ' LEU . 85.8 mt -77.1 -32.62 56.74 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.272 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -59.06 -55.15 38.76 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 119.067 0.849 . . . . 0.0 109.396 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -58.37 -41.3 84.44 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.721 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.484 ' HE1' ' HB2' ' A' ' 27' ' ' GLU . 89.4 t90 -61.31 -50.4 73.13 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 119.383 -0.341 . . . . 0.0 110.089 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.44 -37.13 85.98 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.757 0.708 . . . . 0.0 111.453 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.55 -36.0 81.6 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.992 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -31.36 69.18 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 121.422 1.919 . . . . 0.0 109.128 178.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.55 -65.85 0.63 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 125.326 1.45 . . . . 0.0 108.65 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -70.08 -23.24 63.03 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.203 0 C-N-CA 126.204 1.802 . . . . 0.0 110.013 -178.484 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.3 p30 . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.812 0.339 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.5 mt -55.39 -44.47 75.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.108 -0.995 . . . . 0.0 112.764 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 t -62.73 -29.03 70.37 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.376 0.535 . . . . 0.0 110.12 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -77.4 -31.22 53.98 Favored 'General case' 0 N--CA 1.458 -0.071 0 O-C-N 120.72 -1.237 . . . . 0.0 111.225 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.51 -57.39 11.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.0 ptt-85 -58.18 -33.26 69.06 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 118.925 -0.559 . . . . 0.0 112.199 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.99 -26.34 64.41 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 118.776 -0.631 . . . . 0.0 112.518 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.56 -50.15 4.11 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -53.39 -37.27 62.3 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -60.26 -43.64 95.97 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 118.365 0.529 . . . . 0.0 109.671 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.6 m -61.52 -44.72 96.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.515 1.126 . . . . 0.0 109.111 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.53 -41.6 81.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.586 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.56 -33.32 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 119.802 1.183 . . . . 0.0 111.643 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -63.25 -26.4 68.77 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.663 0.785 . . . . 0.0 111.693 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -105.57 11.44 32.39 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.273 1.029 . . . . 0.0 109.491 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 50.58 31.49 5.74 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 127.962 2.505 . . . . 0.0 113.079 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.72 -31.23 72.37 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.364 1.466 . . . . 0.0 111.284 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.3 t -160.26 165.3 31.68 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.7 p -104.68 165.34 11.13 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.934 0.873 . . . . 0.0 111.856 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -57.46 -42.36 82.41 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.54 -45.62 89.73 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 117.735 -1.126 . . . . 0.0 110.749 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -62.87 -48.72 77.81 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 117.835 -1.078 . . . . 0.0 109.91 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.8 mt -55.66 -44.8 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 120.063 1.301 . . . . 0.0 108.609 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.99 93.19 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.616 0.766 . . . . 0.0 112.324 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 tp -64.95 -49.01 72.01 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 123.93 0.892 . . . . 0.0 109.29 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.75 -48.01 83.73 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.02 1.328 . . . . 0.0 110.33 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.4 p -79.51 -12.01 59.88 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.526 0.73 . . . . 0.0 112.855 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.39 12.74 73.32 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.37 0.986 . . . . 0.0 111.228 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.7 mt -87.7 166.51 14.61 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.118 1.459 . . . . 0.0 108.832 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.8 132.75 34.38 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 105.655 -1.98 . . . . 0.0 105.655 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.4 p -50.75 -30.12 13.2 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 121.856 2.117 . . . . 0.0 115.909 -176.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.42 -19.03 77.37 Favored Glycine 0 CA--C 1.539 1.545 0 CA-C-N 122.177 2.262 . . . . 0.0 112.708 178.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.1 m -67.81 -56.54 8.79 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.261 1.53 . . . . 0.0 114.351 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.7 mt -52.98 -57.17 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 C-N-CA 129.451 3.101 . . . . 0.0 108.968 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p -56.41 -43.38 79.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.545 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -66.91 -42.2 85.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.483 0.583 . . . . 0.0 110.808 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -60.21 -50.25 74.41 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.781 1.632 . . . . 0.0 108.623 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.2 mt -62.94 -41.16 91.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.808 0.843 . . . . 0.0 109.733 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -79.02 5.48 11.66 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.129 0.972 . . . . 0.0 113.514 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 61.64 31.25 18.72 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.357 1.863 . . . . 0.0 111.735 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -119.08 -2.72 10.72 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 117.316 -1.326 . . . . 0.0 113.079 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -72.38 104.44 3.76 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 120.444 1.475 . . . . 0.0 107.457 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -92.22 90.37 7.27 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 104.192 -2.521 . . . . 0.0 104.192 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.59 -159.48 23.62 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -70.94 68.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 128.379 2.672 . . . . 0.0 111.761 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -57.26 -32.07 66.2 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 121.406 -0.809 . . . . 0.0 109.437 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -62.83 -34.38 77.2 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.396 1.478 . . . . 0.0 111.262 178.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -74.99 -51.28 14.03 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 120.529 -1.357 . . . . 0.0 108.39 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -58.13 -46.62 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 125.714 1.606 . . . . 0.0 111.922 -179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.2 p -52.72 -51.35 60.81 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.052 0.941 . . . . 0.0 110.138 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -61.07 -39.2 89.0 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 118.539 -0.743 . . . . 0.0 112.608 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.7 m -65.59 -41.82 92.37 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.18 -39.35 92.77 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 118.579 -0.724 . . . . 0.0 110.226 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -51.57 68.55 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 123.823 0.849 . . . . 0.0 110.95 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -61.73 -34.97 76.75 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 118.444 -0.788 . . . . 0.0 112.847 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -67.45 -52.79 35.26 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 124.439 1.087 . . . . 0.0 108.112 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.47 -46.83 80.22 Favored 'General case' 0 C--O 1.23 0.071 0 C-N-CA 125.336 1.454 . . . . 0.0 113.874 -178.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -59.3 -49.34 78.22 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.269 0.08 . . . . 0.0 110.889 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -31.89 73.21 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 118.646 -0.692 . . . . 0.0 110.005 178.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -62.18 1.82 Allowed 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.686 1.195 . . . . 0.0 110.905 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -75.8 4.94 7.01 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 178.923 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.7 t30 . . . . . 0 C--O 1.235 0.318 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -43.41 -44.9 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.589 1.955 . . . . 0.0 109.816 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.88 -51.54 63.36 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 128.143 2.577 . . . . 0.0 113.867 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -74.7 -35.29 62.72 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.26 0.624 . . . . 0.0 110.35 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.36 -59.33 4.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.093 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HB2' ' HA ' ' A' ' 39' ' ' ILE . 25.4 ptt85 -57.46 -37.48 72.94 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 117.892 -1.051 . . . . 0.0 113.267 -178.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.99 -46.11 82.47 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 123.628 0.58 . . . . 0.0 111.733 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.72 -42.43 99.39 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.9 mt -59.27 -34.1 71.85 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.577 0.751 . . . . 0.0 112.131 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -61.89 -48.48 80.29 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -62.91 -37.45 87.04 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.315 1.046 . . . . 0.0 110.719 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.47 -47.87 80.01 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.78 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 m -69.64 -31.97 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 118.557 -1.257 . . . . 0.0 110.053 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.66 -33.3 73.73 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.298 0.639 . . . . 0.0 109.895 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -95.78 3.16 54.02 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.104 1.362 . . . . 0.0 110.633 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 62.31 12.57 5.31 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.825 2.05 . . . . 0.0 112.811 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.15 -25.58 61.63 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.048 1.739 . . . . 0.0 109.777 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -150.15 171.12 17.42 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.788 1.635 . . . . 0.0 107.229 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.03 156.53 47.72 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 127.178 2.191 . . . . 0.0 105.374 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -52.9 -37.14 60.34 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.729 0.695 . . . . 0.0 111.199 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -71.5 -44.86 63.91 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.87 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -60.24 -45.71 92.31 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.222 1.009 . . . . 0.0 110.85 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.36 -51.78 65.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.68 -33.65 74.36 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.928 1.291 . . . . 0.0 113.115 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.2 tp -69.86 -48.83 57.33 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 124.057 0.943 . . . . 0.0 110.424 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' HB2' ' HE1' ' A' ' 57' ' ' TRP . 36.8 mm-40 -74.16 -43.66 56.53 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.264 0.626 . . . . 0.0 110.759 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.0 p -73.63 -21.45 60.3 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.69 1.132 . . . . 0.0 113.361 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.04 -6.68 78.29 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 123.985 0.802 . . . . 0.0 112.739 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.4 mt -75.64 170.26 16.51 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.422 1.489 . . . . 0.0 110.729 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.9 t -80.01 150.38 30.43 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -60.71 -45.37 94.47 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 118.943 0.792 . . . . 0.0 109.573 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.91 -42.48 70.01 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-O 118.45 -1.194 . . . . 0.0 112.084 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.1 m -53.23 -57.34 10.84 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.522 1.161 . . . . 0.0 111.431 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 mt -53.93 -54.42 20.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 123.968 0.907 . . . . 0.0 111.198 -178.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 p -58.99 -40.37 84.64 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 118.352 0.523 . . . . 0.0 112.27 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -66.2 -48.97 68.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -59.43 -46.82 87.64 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.058 1.743 . . . . 0.0 110.593 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.441 ' HA ' ' HB2' ' A' ' 7' ' ' ARG . 68.1 mt -55.99 -34.62 38.55 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 O-C-N 121.778 -0.577 . . . . 0.0 111.769 -179.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -98.83 7.45 46.03 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 118.556 -0.735 . . . . 0.0 112.834 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.8 t70 57.94 41.6 24.23 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.982 1.372 . . . . 0.0 108.906 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -112.3 -5.84 14.12 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.414 1.885 . . . . 0.0 112.113 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -76.16 171.26 14.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.857 1.263 . . . . 0.0 110.825 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -72.46 -169.98 0.6 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 128.663 2.785 . . . . 0.0 108.622 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.17 -169.33 41.63 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 107.413 -2.275 . . . . 0.0 107.413 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.7 t0 67.33 28.65 7.84 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.151 1.38 . . . . 0.0 109.004 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -53.05 -31.36 41.12 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 126.647 1.979 . . . . 0.0 108.893 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -53.72 -50.66 65.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.139 2.576 . . . . 0.0 111.074 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -59.69 -47.89 83.85 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.575 1.15 . . . . 0.0 109.224 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.6 t -64.29 -53.51 42.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 123.576 0.75 . . . . 0.0 109.881 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 p -55.0 -48.41 73.35 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.483 1.113 . . . . 0.0 111.226 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -61.74 -33.39 73.96 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.699 1.136 . . . . 0.0 111.312 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.2 m -68.56 -41.96 79.02 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.56 -34.11 73.72 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.854 0.862 . . . . 0.0 109.986 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -55.97 26.93 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.87 1.668 . . . . 0.0 107.984 178.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -55.25 -46.04 76.05 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.429 0.692 . . . . 0.0 109.379 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.433 ' HE1' ' HB2' ' A' ' 27' ' ' GLU . 89.5 t90 -61.41 -42.07 98.14 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 119.158 -0.448 . . . . 0.0 110.996 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.03 -39.28 90.08 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.613 1.097 . . . . 0.0 110.335 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -61.02 -39.54 90.12 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -73.94 -31.46 63.06 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 119.559 1.072 . . . . 0.0 110.223 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -59.47 3.31 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 118.623 0.647 . . . . 0.0 109.438 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -69.38 -18.53 63.78 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-N 121.126 1.784 . . . . 0.0 111.808 -178.599 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.1 mm -54.83 -42.43 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.0 t -52.08 -45.56 64.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 126.884 2.074 . . . . 0.0 111.507 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -71.93 -42.9 66.1 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.551 0.74 . . . . 0.0 111.321 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.19 -54.6 32.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -61.76 -35.37 77.92 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.52 -0.737 . . . . 0.0 110.814 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.33 -15.9 63.63 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 118.67 0.668 . . . . 0.0 111.33 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.72 -59.1 2.04 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.6 mt -55.25 -36.53 66.15 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.13 0.972 . . . . 0.0 113.228 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -61.01 -42.45 98.47 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.016 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -58.73 -44.01 90.36 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 118.889 0.768 . . . . 0.0 109.348 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.17 -49.92 72.62 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 123.826 0.704 . . . . 0.0 110.395 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -75.05 -32.43 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.283 -0.885 . . . . 0.0 112.862 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.82 -30.89 69.54 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 124.749 1.22 . . . . 0.0 111.36 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -97.2 6.42 48.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.34 1.056 . . . . 0.0 109.89 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 55.5 31.97 18.09 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.282 1.833 . . . . 0.0 111.857 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -66.76 -30.69 70.97 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.638 1.575 . . . . 0.0 108.81 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 t -163.22 -177.72 5.54 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.276 1.83 . . . . 0.0 109.345 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.2 p -121.61 162.8 20.01 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.603 1.161 . . . . 0.0 111.314 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -60.26 -35.12 74.78 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.862 0.865 . . . . 0.0 109.331 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -46.99 86.16 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 108.247 -1.019 . . . . 0.0 108.247 178.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -64.47 -48.76 74.02 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.084 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.0 mt -55.49 -45.63 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.73 -48.57 78.65 Favored 'General case' 0 C--O 1.224 -0.249 0 O-C-N 121.397 -0.815 . . . . 0.0 111.91 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.55 -39.62 88.59 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.684 0.794 . . . . 0.0 112.809 -178.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.96 -46.88 15.9 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.244 1.018 . . . . 0.0 110.728 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -70.97 -26.41 63.14 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 120.8 -1.188 . . . . 0.0 111.67 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.1 4.89 86.36 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 125.476 1.512 . . . . 0.0 110.591 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.2 mt -86.02 166.17 16.09 Favored 'General case' 0 C--N 1.338 0.1 0 CA-C-N 119.382 1.591 . . . . 0.0 109.351 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 t -73.32 141.57 47.12 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -32.54 69.45 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 125.009 1.324 . . . . 0.0 112.935 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.62 -38.75 19.73 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.495 HG23 ' CE1' ' A' ' 43' ' ' TYR . 24.2 m -56.79 -45.84 81.91 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 125.183 1.393 . . . . 0.0 112.055 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.8 mt -58.35 -46.34 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.11 -44.29 87.62 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 121.918 -0.489 . . . . 0.0 112.073 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -47.14 85.09 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -56.65 -47.41 79.82 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.53 1.132 . . . . 0.0 110.359 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.89 -33.19 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 O-C-N 121.732 -0.605 . . . . 0.0 110.206 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -84.22 1.98 42.01 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.217 0.917 . . . . 0.0 110.811 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 t70 70.9 10.19 6.93 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 128.341 2.656 . . . . 0.0 111.611 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -87.13 7.27 28.77 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.145 1.778 . . . . 0.0 114.069 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.495 ' CE1' HG23 ' A' ' 34' ' ' THR . 24.4 t80 -85.99 155.06 21.03 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.322 1.419 . . . . 0.0 107.189 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -149.97 152.43 34.94 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.119 1.367 . . . . 0.0 109.417 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.12 -49.81 4.16 Favored Glycine 0 C--N 1.331 0.287 0 N-CA-C 118.153 2.021 . . . . 0.0 118.153 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.69 21.62 12.42 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.56 1.18 . . . . 0.0 112.599 -177.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -49.3 -47.41 46.98 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 126.284 1.833 . . . . 0.0 112.067 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.1 -45.19 86.2 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.728 0.695 . . . . 0.0 110.573 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -61.66 -43.17 99.36 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 120.779 -1.201 . . . . 0.0 109.868 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.12 -51.2 75.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.9 p -57.11 -49.91 74.43 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.655 0.782 . . . . 0.0 110.317 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -57.38 -35.4 69.94 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.793 1.237 . . . . 0.0 111.584 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.6 m -75.62 -35.64 60.46 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.477 -0.764 . . . . 0.0 109.235 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.6 mt -71.18 -36.17 71.88 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 123.809 0.844 . . . . 0.0 109.781 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -50.37 73.42 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 125.024 1.329 . . . . 0.0 110.023 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -61.02 -43.18 99.27 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.029 0.532 . . . . 0.0 110.402 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -61.42 -49.51 76.58 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.41 -35.67 74.4 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.588 0.631 . . . . 0.0 111.833 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -67.33 -40.86 85.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 118.743 0.701 . . . . 0.0 109.27 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -31.68 64.07 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.606 0.639 . . . . 0.0 110.093 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.77 -44.57 69.88 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.444 0.697 . . . . 0.0 109.668 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -70.87 -5.06 27.69 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 118.65 -0.69 . . . . 0.0 111.698 177.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.912 0 CA-C-O 116.255 -1.831 . . . . 0.0 110.739 -179.709 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.4 t30 . . . . . 0 CA--C 1.537 0.466 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.426 HG22 HH11 ' A' ' 7' ' ' ARG . 8.3 mt -47.65 -42.5 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 125.916 1.686 . . . . 0.0 110.857 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.6 t -61.29 -38.02 85.28 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 117.658 -1.163 . . . . 0.0 112.611 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.79 -39.76 69.69 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 119.506 1.048 . . . . 0.0 109.625 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.7 mt -60.41 -53.71 45.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.426 HH11 HG22 ' A' ' 3' ' ' ILE . 32.5 ptt-85 -64.78 -34.5 78.49 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 117.608 -1.187 . . . . 0.0 111.589 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.96 -43.39 77.49 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.44 1.018 . . . . 0.0 112.39 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.93 -37.57 94.44 Favored Glycine 0 CA--C 1.523 0.581 0 CA-C-N 117.997 0.362 . . . . 0.0 112.478 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.3 -38.47 80.29 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 121.692 -0.887 . . . . 0.0 110.49 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -55.74 -48.49 75.13 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -57.15 -44.53 83.51 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.376 1.07 . . . . 0.0 110.557 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.01 -47.11 86.41 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.343 0.657 . . . . 0.0 110.451 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.9 -30.75 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-N 119.374 0.988 . . . . 0.0 112.26 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -60.37 -39.54 87.58 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 123.819 0.848 . . . . 0.0 109.975 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -92.01 9.72 32.04 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.136 1.374 . . . . 0.0 111.582 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 57.66 15.06 2.68 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.643 2.377 . . . . 0.0 114.595 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -50.21 -35.82 28.14 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 127.986 2.514 . . . . 0.0 112.195 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -163.59 166.53 22.34 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.173 0.989 . . . . 0.0 108.592 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -115.42 159.22 21.41 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -52.15 -36.94 52.93 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -64.39 -42.59 96.06 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 118.919 0.782 . . . . 0.0 110.799 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -65.17 -43.97 90.0 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 54.6 mt -59.23 -46.02 92.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.71 -45.88 88.57 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 124.196 0.999 . . . . 0.0 110.886 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.0 tp -57.81 -48.73 78.88 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.648 0.779 . . . . 0.0 111.399 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -78.24 -39.0 41.63 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -74.07 -28.06 61.21 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 121.639 -0.663 . . . . 0.0 110.586 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.73 -4.76 76.14 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 126.31 1.909 . . . . 0.0 110.199 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.6 mt -76.99 174.17 10.94 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 124.869 1.268 . . . . 0.0 108.955 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.7 t -90.5 149.13 22.32 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -55.91 -46.04 78.5 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.59 -48.38 84.88 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-O 118.226 -1.319 . . . . 0.0 111.451 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.3 m -54.09 -47.8 71.37 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 124.47 1.108 . . . . 0.0 110.676 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.1 mt -60.1 -49.19 85.02 Favored 'Isoleucine or valine' 0 C--O 1.23 0.07 0 CA-C-N 118.85 0.75 . . . . 0.0 109.444 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -61.0 -40.41 93.42 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.254 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -41.18 92.21 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 120.11 1.323 . . . . 0.0 108.759 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.78 -50.85 71.87 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.156 1.382 . . . . 0.0 110.234 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.1 mt -65.97 -44.05 92.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.096 0.558 . . . . 0.0 110.138 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -77.02 6.76 5.79 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.15 0.98 . . . . 0.0 112.331 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 61.05 16.96 7.53 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 128.11 2.564 . . . . 0.0 114.742 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -83.66 -23.3 31.83 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 120.586 -1.321 . . . . 0.0 109.196 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -72.03 129.94 39.74 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -139.32 155.24 47.84 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 126.641 1.976 . . . . 0.0 106.378 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.32 98.98 0.39 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.671 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 69.15 38.16 1.98 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.408 1.483 . . . . 0.0 110.635 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -57.34 -35.47 69.95 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.056 1.342 . . . . 0.0 110.609 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -60.76 -36.6 79.36 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.604 0.762 . . . . 0.0 110.412 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -64.35 -43.37 94.8 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 120.405 -1.435 . . . . 0.0 108.521 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -62.83 -46.61 95.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.6 p -58.4 -50.64 72.98 Favored 'General case' 0 C--N 1.34 0.186 0 CA-C-N 119.059 0.845 . . . . 0.0 109.558 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -55.76 -36.46 67.33 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 124.766 1.227 . . . . 0.0 111.554 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.1 m -70.33 -38.01 74.81 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.48 -35.15 73.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.121 -0.942 . . . . 0.0 109.937 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -57.24 -53.15 61.32 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.692 0.797 . . . . 0.0 110.29 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -58.58 -35.12 71.89 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 59.6 t90 -70.43 -54.49 12.15 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.49 -36.26 68.92 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.012 1.325 . . . . 0.0 112.489 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -59.32 -40.5 86.47 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.671 0.788 . . . . 0.0 110.751 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -82.91 -32.09 27.46 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.071 0.396 . . . . 0.0 110.311 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -52.15 65.09 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -77.52 9.51 3.27 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 CA-C-N 119.808 1.185 . . . . 0.0 110.673 179.498 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 mt -54.21 -36.29 32.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 O-C-N 121.077 -1.014 . . . . 0.0 110.239 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 t -68.44 -47.8 66.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.551 1.54 . . . . 0.0 109.639 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.07 -42.99 99.52 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.14 0.976 . . . . 0.0 110.659 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.3 mt -56.8 -59.55 2.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 124.815 1.246 . . . . 0.0 108.964 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -59.17 -36.7 75.77 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.958 0.799 . . . . 0.0 111.235 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.35 -18.54 65.42 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 118.206 -0.902 . . . . 0.0 113.297 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.76 -42.35 4.47 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 119.149 0.886 . . . . 0.0 110.95 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.2 mt -58.84 -37.86 77.42 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.17 0.985 . . . . 0.0 111.086 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -56.2 -43.1 78.18 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.066 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 m -56.75 -42.66 79.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 119.036 0.834 . . . . 0.0 111.403 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.97 -47.54 77.25 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.201 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -69.97 -38.03 74.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 118.777 -1.169 . . . . 0.0 111.932 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -61.01 -27.48 68.35 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.868 1.667 . . . . 0.0 112.031 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -100.53 7.1 44.3 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.073 1.349 . . . . 0.0 110.615 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 56.85 13.79 1.6 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 127.575 2.35 . . . . 0.0 113.511 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.48 -38.92 14.74 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.912 2.485 . . . . 0.0 111.942 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 t -160.96 143.74 12.75 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.41 157.44 23.68 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.882 0.372 . . . . 0.0 111.911 -178.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.49 ' HA ' HD12 ' A' ' 24' ' ' ILE . 25.4 m-85 -53.12 -35.43 59.67 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.65 1.18 . . . . 0.0 111.874 178.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -66.1 -36.99 84.63 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.01 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -68.92 -42.39 76.85 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 21' ' ' PHE . 42.5 mt -56.49 -49.91 75.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.81 87.97 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 123.594 0.758 . . . . 0.0 111.463 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.61 -47.28 82.06 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -76.97 -32.11 57.03 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.1 p -81.08 -22.72 38.97 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 121.827 -0.546 . . . . 0.0 110.71 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.59 -6.11 70.85 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.878 1.228 . . . . 0.0 111.44 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.8 mt -75.38 172.14 12.99 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.786 1.293 . . . . 0.0 108.362 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m -88.65 157.12 18.66 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 177.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.9 p -59.98 -42.86 95.11 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.203 -0.935 . . . . 0.0 110.994 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.51 -26.51 66.59 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 125.02 1.295 . . . . 0.0 112.582 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.4 m -70.25 -55.43 9.28 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.236 1.518 . . . . 0.0 110.413 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.2 mt -54.2 -49.78 60.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 C-N-CA 124.212 1.005 . . . . 0.0 110.502 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.5 p -61.98 -44.39 96.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.2 p -67.16 -38.09 84.88 Favored 'General case' 0 N--CA 1.414 -2.233 0 O-C-N 121.809 -0.557 . . . . 0.0 109.922 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -61.14 -52.42 64.95 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.951 0.9 . . . . 0.0 108.889 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.0 mt -55.32 -32.74 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.865 0.866 . . . . 0.0 112.082 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -102.55 20.53 16.94 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 61.41 6.23 1.38 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.644 1.978 . . . . 0.0 112.776 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -74.18 -29.33 61.71 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 120.411 -1.431 . . . . 0.0 111.629 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -70.16 141.36 52.63 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -153.13 75.58 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.4 60.4 0.19 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 76.87 58.4 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 126.94 2.096 . . . . 0.0 108.609 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -58.11 -31.9 67.58 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.36 -41.51 97.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.811 2.045 . . . . 0.0 110.83 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -48.03 54.61 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 69.9 t -55.23 -47.51 77.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 123.755 0.822 . . . . 0.0 109.223 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 p -58.15 -42.16 85.33 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.444 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -64.17 -32.49 74.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 120.011 1.278 . . . . 0.0 111.171 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.1 m -72.9 -40.61 65.4 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.08 -1.013 . . . . 0.0 108.658 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.12 -38.59 88.56 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.198 0.999 . . . . 0.0 110.076 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.12 -52.24 52.84 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.682 1.993 . . . . 0.0 111.52 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -61.7 -43.62 98.5 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.129 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -61.56 -44.5 96.92 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 119.158 -0.449 . . . . 0.0 110.977 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.71 -39.93 80.22 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 118.752 0.705 . . . . 0.0 111.046 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -58.09 -44.34 87.56 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 118.268 -0.873 . . . . 0.0 109.984 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -70.17 -31.7 69.29 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.307 0.958 . . . . 0.0 110.93 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.59 -50.95 47.64 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -82.18 -14.07 56.18 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.199 0 CA-C-N 122.568 2.44 . . . . 0.0 112.374 -179.113 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.4 t30 . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.413 ' HA ' HD12 ' A' ' 6' ' ' ILE . 25.1 mt -49.1 -45.57 17.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 126.845 2.058 . . . . 0.0 111.172 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.5 t -58.29 -32.58 68.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.026 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -81.55 -35.48 30.22 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.394 0.997 . . . . 0.0 111.371 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 3' ' ' ILE . 97.7 mt -53.98 -55.04 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.964 1.306 . . . . 0.0 108.621 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -58.95 -32.79 69.93 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 117.869 -1.063 . . . . 0.0 113.453 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.97 95.54 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 119.707 1.14 . . . . 0.0 110.641 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.62 -45.4 95.7 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.42 -37.09 77.16 Favored 'General case' 0 CA--C 1.517 -0.292 0 O-C-N 121.896 -0.767 . . . . 0.0 111.701 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -64.7 -46.92 80.31 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.0 m -56.31 -41.83 76.62 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.167 0.587 . . . . 0.0 110.149 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB3' HG22 ' A' ' 19' ' ' THR . 87.3 mt -63.46 -52.39 61.6 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 119.059 -0.496 . . . . 0.0 110.891 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.67 -32.86 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 119.293 0.951 . . . . 0.0 111.865 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.03 -28.2 68.68 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.968 1.307 . . . . 0.0 111.974 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -103.35 15.88 27.97 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.763 1.225 . . . . 0.0 110.108 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 56.38 18.57 3.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.755 1.622 . . . . 0.0 112.569 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.29 -39.79 94.63 Favored 'General case' 0 C--N 1.335 -0.054 0 C-N-CA 125.862 1.665 . . . . 0.0 110.114 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.4 HG22 ' HB3' ' A' ' 13' ' ' LEU . 1.6 t -143.44 179.15 7.28 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.934 1.294 . . . . 0.0 108.904 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 m -139.53 152.5 46.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.691 1.596 . . . . 0.0 107.097 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -52.98 -41.45 64.6 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 123.641 0.776 . . . . 0.0 111.068 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -44.03 87.76 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.274 178.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -67.79 -51.52 47.86 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 117.736 -1.126 . . . . 0.0 110.611 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.9 mt -52.17 -47.87 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 119.922 1.237 . . . . 0.0 108.196 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.47 88.31 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 123.862 0.865 . . . . 0.0 112.423 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.17 -56.53 20.94 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.055 0.542 . . . . 0.0 109.966 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -60.17 -43.99 95.38 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.417 1.487 . . . . 0.0 112.51 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.0 p -79.48 -19.89 48.66 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.892 0.769 . . . . 0.0 112.863 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.04 -1.6 88.4 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.837 1.208 . . . . 0.0 110.226 -177.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.5 mt -82.57 167.18 18.59 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 119.064 1.432 . . . . 0.0 110.139 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 t -78.93 147.13 33.14 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.5 p -60.44 -47.28 86.79 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.71 -33.94 60.2 Favored Glycine 0 C--N 1.341 0.828 0 C-N-CA 124.233 0.921 . . . . 0.0 112.224 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.7 m -66.35 -55.77 14.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -54.88 -51.04 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 C-N-CA 124.138 0.975 . . . . 0.0 111.487 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 p -61.11 -38.18 85.39 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 t -73.63 -39.59 64.41 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -56.79 -50.03 73.55 Favored 'General case' 0 CA--C 1.527 0.073 0 C-N-CA 126.813 2.045 . . . . 0.0 109.157 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.9 mt -58.09 -41.96 81.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 123.204 0.602 . . . . 0.0 110.293 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -79.69 0.12 31.72 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.733 0.813 . . . . 0.0 112.991 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . 0.257 1.8 t70 56.16 45.21 23.79 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 127.711 2.404 . . . . 0.0 109.367 -177.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -116.04 -10.41 11.57 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 126.161 1.784 . . . . 0.0 109.767 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -80.68 120.7 24.94 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 100.268 -3.975 . . . . 0.0 100.268 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -124.7 104.93 8.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.04 -123.18 1.15 Allowed Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -78.31 62.9 3.09 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.137 0.975 . . . . 0.0 109.362 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -66.45 -32.92 74.59 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.522 1.529 . . . . 0.0 111.746 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.98 -47.86 81.32 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.59 0.756 . . . . 0.0 110.397 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -55.51 -41.83 73.63 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 121.638 -0.663 . . . . 0.0 109.414 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.9 t -66.06 -52.48 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-O 118.081 -0.961 . . . . 0.0 108.914 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.6 p -56.3 -54.08 49.61 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 119.742 1.155 . . . . 0.0 111.512 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -56.71 -40.53 75.83 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.696 0.798 . . . . 0.0 110.555 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.5 m -68.02 -38.94 83.15 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.402 -0.811 . . . . 0.0 109.887 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.99 -25.62 61.91 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 117.684 -1.151 . . . . 0.0 111.078 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -66.76 -53.29 34.7 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 120.011 1.278 . . . . 0.0 108.404 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -57.9 -29.55 65.18 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 124.608 1.163 . . . . 0.0 111.745 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -78.53 -38.96 39.3 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.448 0.699 . . . . 0.0 109.402 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -44.21 81.18 Favored 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -178.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -54.16 -50.44 66.98 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 123.627 0.579 . . . . 0.0 111.639 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -66.8 -30.69 70.96 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 123.56 0.744 . . . . 0.0 110.73 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -62.45 1.85 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -69.79 -29.47 66.79 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 118.966 -1.094 . . . . 0.0 111.045 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 C-N-CA 129.266 3.026 . . . . 0.0 110.196 -178.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.607 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -74.49 78.68 2.66 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 123.959 3.106 . . . . 0.0 109.86 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 ptm -51.31 149.59 3.95 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 127.42 2.288 . . . . 0.0 110.951 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -72.8 162.22 29.76 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.5 mt -58.77 -34.01 50.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 O-C-N 121.585 -0.697 . . . . 0.0 109.57 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.9 m -59.38 -37.91 79.15 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 124.596 1.158 . . . . 0.0 110.71 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -69.34 -40.91 77.27 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 118.878 0.763 . . . . 0.0 109.598 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.33 -58.87 3.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.5 ptt-85 -62.0 -33.15 73.81 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 119.718 -0.793 . . . . 0.0 111.651 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.16 -23.49 67.46 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-O 117.52 -1.229 . . . . 0.0 112.883 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.5 -44.53 5.82 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.5 mt -56.86 -38.98 73.46 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 121.464 -1.021 . . . . 0.0 112.372 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -59.73 -44.08 93.92 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 119.042 -0.504 . . . . 0.0 109.793 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -58.98 -43.44 91.41 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 124.418 1.087 . . . . 0.0 111.121 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.7 -50.94 64.98 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 119.137 -0.458 . . . . 0.0 111.066 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.5 m -67.75 -33.26 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 119.819 -0.752 . . . . 0.0 112.023 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.58 -34.55 71.22 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 124.77 1.228 . . . . 0.0 110.888 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -109.21 19.7 19.14 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.898 0.879 . . . . 0.0 112.689 -177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 59.65 17.79 6.55 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.921 1.688 . . . . 0.0 114.891 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -67.25 -20.9 65.73 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.173 1.789 . . . . 0.0 111.112 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 t -158.7 175.96 12.97 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 124.934 1.294 . . . . 0.0 108.011 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.2 p -137.19 161.75 35.32 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.086 1.354 . . . . 0.0 108.786 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -59.83 -43.24 94.66 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -61.51 -48.21 82.07 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.202 1.001 . . . . 0.0 112.305 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -65.88 -43.52 88.07 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 117.313 -1.327 . . . . 0.0 109.925 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.0 mt -60.05 -47.04 93.4 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.7 87.07 Favored 'General case' 0 C--O 1.226 -0.181 0 C-N-CA 123.402 0.681 . . . . 0.0 111.105 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.0 tp -65.83 -49.03 69.66 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 119.218 -0.42 . . . . 0.0 110.868 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -67.74 -32.58 73.3 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.6 p -86.93 -18.41 30.86 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 121.837 -0.539 . . . . 0.0 112.202 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.78 13.11 82.56 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.2 mt -96.18 177.3 5.77 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.748 1.619 . . . . 0.0 107.515 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m -92.85 150.85 20.34 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 p -56.59 -46.5 80.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.112 0.965 . . . . 0.0 111.231 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.04 -35.76 78.15 Favored Glycine 0 CA--C 1.527 0.782 0 CA-C-O 118.938 -0.924 . . . . 0.0 112.863 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.0 m -61.73 -51.72 67.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.177 0.991 . . . . 0.0 110.359 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.0 -51.87 41.83 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 C-N-CA 124.063 0.945 . . . . 0.0 109.718 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 p -59.45 -45.59 91.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.476 -0.297 . . . . 0.0 111.225 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.14 -35.91 80.74 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.717 0.689 . . . . 0.0 112.133 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -64.18 -49.08 73.46 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.979 1.312 . . . . 0.0 107.476 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.0 mt -61.72 -45.97 97.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -65.72 -6.45 11.61 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.594 1.157 . . . . 0.0 111.753 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.4 t0 53.85 44.69 29.14 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.25 1.42 . . . . 0.0 107.718 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -131.38 -6.12 3.77 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 127.211 2.204 . . . . 0.0 112.538 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -67.21 134.97 52.7 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -114.17 114.22 25.73 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.07 -157.06 27.36 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 108.527 -1.829 . . . . 0.0 108.527 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -79.51 83.61 5.48 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -60.42 -31.84 70.78 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 122.647 0.379 . . . . 0.0 110.206 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -64.22 -34.99 79.36 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.942 0.497 . . . . 0.0 110.286 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -62.16 -47.88 82.57 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 120.78 -1.2 . . . . 0.0 107.974 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.74 -46.38 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 125.04 1.336 . . . . 0.0 110.157 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 99.8 p -55.63 -51.33 67.57 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 119.272 0.942 . . . . 0.0 110.091 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -58.42 -36.58 73.82 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 118.426 -0.797 . . . . 0.0 113.079 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 m -69.27 -45.58 69.35 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.35 -30.31 71.47 Favored 'General case' 0 C--O 1.227 -0.095 0 O-C-N 120.764 -1.21 . . . . 0.0 112.464 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -60.67 -48.75 80.4 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 118.625 0.648 . . . . 0.0 110.103 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -59.56 -38.98 82.55 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 122.743 0.417 . . . . 0.0 110.552 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -65.25 -49.85 68.02 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.16 -36.0 78.61 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.321 -0.862 . . . . 0.0 111.366 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -59.82 -50.28 74.42 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.202 1.001 . . . . 0.0 109.622 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -69.03 -31.67 70.63 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.493 0.588 . . . . 0.0 111.514 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -62.71 1.31 Allowed 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -63.43 -17.05 62.27 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 179.01 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.441 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.05 98.49 0.44 Allowed 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.643 2.228 . . . . 0.0 108.377 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.437 ' HG2' ' H ' ' A' ' 1' ' ' MET . 8.9 ptm -56.79 142.01 42.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 126.345 1.858 . . . . 0.0 108.116 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.0 163.04 6.28 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 123.841 0.857 . . . . 0.0 112.636 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.0 mt -58.95 -40.4 80.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.6 t -57.36 -43.12 83.26 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.468 1.507 . . . . 0.0 108.187 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -70.55 -46.23 63.95 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 119.022 0.828 . . . . 0.0 110.12 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.1 mt -53.99 -56.36 9.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 124.609 1.164 . . . . 0.0 108.345 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.413 ' HB2' ' HA ' ' A' ' 39' ' ' ILE . 38.2 ptt85 -67.15 -30.83 70.92 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -179.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.08 -40.12 78.64 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-N 118.754 0.706 . . . . 0.0 110.571 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.2 -43.88 93.38 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 108.085 -2.006 . . . . 0.0 108.085 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.412 HD11 HD13 ' A' ' 54' ' ' LEU . 29.3 mt -58.2 -41.01 83.03 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 117.945 -1.026 . . . . 0.0 111.407 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.8 mtt-85 -58.81 -47.83 83.42 Favored 'General case' 0 C--O 1.217 -0.624 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.4 m -53.76 -54.62 35.58 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.539 0.524 . . . . 0.0 110.16 -178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.22 -39.18 81.9 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.686 0.675 . . . . 0.0 112.14 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.8 m -77.91 -37.66 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 O-C-N 119.934 -1.729 . . . . 0.0 112.415 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -69.49 -35.9 75.99 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.968 1.707 . . . . 0.0 110.086 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -81.5 -0.76 43.35 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.919 0.887 . . . . 0.0 110.521 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 69.67 12.19 8.03 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 128.672 2.789 . . . . 0.0 112.346 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -56.58 -37.7 70.96 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 126.182 1.793 . . . . 0.0 111.293 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 t -151.67 -177.18 5.95 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 123.821 0.848 . . . . 0.0 109.821 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.6 m -130.49 156.2 45.18 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.043 1.737 . . . . 0.0 106.609 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -52.66 -36.96 57.86 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.673 -1.267 . . . . 0.0 114.174 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -60.64 -39.76 89.48 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 118.849 -0.596 . . . . 0.0 112.061 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -67.04 -43.95 81.45 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 123.821 0.701 . . . . 0.0 110.221 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.2 mt -61.81 -49.74 83.03 Favored 'Isoleucine or valine' 0 C--N 1.339 0.121 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.45 -49.66 73.96 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 123.548 0.739 . . . . 0.0 111.719 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.2 tp -56.88 -44.79 82.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.026 1.331 . . . . 0.0 112.376 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -78.47 -41.31 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 p -73.33 -28.33 62.01 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 123.373 0.669 . . . . 0.0 112.145 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.61 12.73 60.58 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.419 -1.073 . . . . 0.0 110.419 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.8 mt -97.85 -177.68 3.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.898 1.349 . . . . 0.0 109.174 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.3 t -99.83 145.76 27.38 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 p -56.37 -51.7 67.34 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.529 1.132 . . . . 0.0 110.804 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.29 -43.55 93.65 Favored Glycine 0 C--N 1.338 0.692 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 49.5 m -59.16 -53.01 63.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 117.655 -1.164 . . . . 0.0 110.511 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.1 mt -56.08 -46.94 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 CA-C-N 120.09 1.314 . . . . 0.0 109.378 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -44.09 82.7 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.835 -0.541 . . . . 0.0 110.881 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.2 -36.58 77.44 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 123.995 0.918 . . . . 0.0 110.216 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -64.14 -46.84 82.3 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.535 1.134 . . . . 0.0 108.142 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.413 ' HA ' ' HB2' ' A' ' 7' ' ' ARG . 85.5 mt -58.83 -39.54 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 O-C-N 121.837 -0.539 . . . . 0.0 110.023 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -79.25 -3.43 45.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.7 t70 56.9 41.48 27.81 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.982 1.372 . . . . 0.0 108.58 -177.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -125.52 -6.21 6.99 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 125.952 1.701 . . . . 0.0 110.735 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -63.98 142.84 58.26 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 120.324 1.42 . . . . 0.0 108.092 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -117.87 92.55 3.86 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 104.503 -2.406 . . . . 0.0 104.503 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.27 -161.47 26.34 Favored Glycine 0 N--CA 1.435 -1.382 0 N-CA-C 107.326 -2.31 . . . . 0.0 107.326 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -88.0 85.99 7.06 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 102.743 -3.058 . . . . 0.0 102.743 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -56.22 -31.21 63.3 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.128 0.971 . . . . 0.0 109.163 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -60.91 -35.02 75.59 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.5 1.92 . . . . 0.0 110.075 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.3 tpp85 -68.74 -48.63 63.27 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 120.347 -1.471 . . . . 0.0 107.099 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.8 t -56.65 -46.59 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.083 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 p -59.87 -44.61 94.07 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.399 0.999 . . . . 0.0 110.058 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -60.69 -38.77 86.09 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.66 0.664 . . . . 0.0 111.328 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 m -69.83 -37.19 76.11 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 118.55 0.614 . . . . 0.0 109.9 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.412 HD13 HD11 ' A' ' 10' ' ' LEU . 74.6 mt -72.79 -28.62 62.7 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 117.24 -1.362 . . . . 0.0 110.287 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -58.32 -50.78 72.43 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 119.467 1.031 . . . . 0.0 109.405 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -57.35 -48.66 78.42 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 118.561 0.619 . . . . 0.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -59.94 -47.03 87.44 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.141 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.77 -35.15 78.88 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 124.606 1.163 . . . . 0.0 111.458 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.97 -50.27 71.44 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -66.0 -35.92 81.87 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 118.884 0.766 . . . . 0.0 109.666 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -53.34 38.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -60.62 -22.65 64.01 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 117.598 -1.191 . . . . 0.0 114.18 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.344 0 CA-C-N 120.004 1.275 . . . . 0.0 110.238 179.631 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.542 0 N-CA-C 109.719 -1.353 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -67.63 168.56 17.98 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.971 2.447 . . . . 0.0 110.759 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.4 mtm -150.01 157.65 43.36 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 124.333 1.053 . . . . 0.0 108.941 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -103.0 166.35 10.49 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.828 2.051 . . . . 0.0 108.585 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.5 mt -47.42 -53.9 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.558 1.143 . . . . 0.0 112.562 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -55.79 -35.28 66.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.379 1.072 . . . . 0.0 113.034 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -79.23 -47.38 16.04 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.889 1.676 . . . . 0.0 108.878 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.5 mt -53.52 -54.23 19.99 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 C-N-CA 124.773 1.229 . . . . 0.0 108.17 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.0 ptt85 -63.42 -31.44 72.6 Favored 'General case' 0 C--N 1.339 0.114 0 CA-C-O 117.801 -1.095 . . . . 0.0 113.331 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.62 -46.59 85.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 119.221 0.918 . . . . 0.0 111.435 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.72 -41.01 93.62 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.4 mt -60.99 -35.49 76.95 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 121.364 -1.08 . . . . 0.0 112.447 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -66.13 -46.66 76.76 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -54.03 -41.26 67.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.115 0.885 . . . . 0.0 110.244 -178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.426 ' HB3' HG22 ' A' ' 19' ' ' THR . 77.3 mt -65.05 -51.98 58.41 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.803 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.8 m -69.26 -29.55 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 119.78 1.173 . . . . 0.0 112.536 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.78 -23.6 64.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.676 1.591 . . . . 0.0 112.138 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -112.93 12.41 19.35 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.229 1.412 . . . . 0.0 110.808 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 60.38 17.39 7.12 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.612 2.365 . . . . 0.0 114.223 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.69 -22.99 67.19 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.786 2.034 . . . . 0.0 109.897 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.426 HG22 ' HB3' ' A' ' 13' ' ' LEU . 2.4 t -157.87 177.85 10.89 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.937 2.095 . . . . 0.0 108.345 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.0 m -141.06 151.74 44.27 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.894 1.678 . . . . 0.0 108.261 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -53.07 -40.18 63.85 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.828 1.195 . . . . 0.0 111.663 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -61.37 -45.89 92.51 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.414 1.086 . . . . 0.0 110.389 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -61.41 -52.05 66.22 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.981 1.313 . . . . 0.0 109.107 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.4 mt -55.84 -48.41 78.3 Favored 'Isoleucine or valine' 0 C--N 1.343 0.296 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.28 -44.28 92.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.552 0.741 . . . . 0.0 112.039 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.1 -51.34 66.97 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.383 0.538 . . . . 0.0 110.195 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.05 -48.05 81.98 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.1 p -75.17 -19.7 59.71 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.612 1.165 . . . . 0.0 113.388 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.86 4.56 62.52 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.9 mt -82.72 167.29 18.34 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 106.076 -1.824 . . . . 0.0 106.076 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.8 m -84.28 150.7 25.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.239 -0.913 . . . . 0.0 108.921 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.1 p -57.86 -34.11 69.39 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 124.269 1.028 . . . . 0.0 110.409 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.65 -37.91 61.55 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-O 118.49 -1.172 . . . . 0.0 110.792 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.421 HG23 ' CE1' ' A' ' 43' ' ' TYR . 55.4 m -59.75 -52.84 63.76 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 118.872 1.336 . . . . 0.0 110.519 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.4 mt -54.68 -50.92 56.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 123.03 0.532 . . . . 0.0 110.301 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.0 p -63.99 -41.98 97.35 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.974 -0.536 . . . . 0.0 111.902 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -61.34 -46.75 88.94 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.736 1.614 . . . . 0.0 109.995 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -58.48 -48.36 81.03 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.172 1.389 . . . . 0.0 110.095 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.6 mt -65.5 -36.05 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 119.305 -0.378 . . . . 0.0 110.353 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -83.08 9.01 11.28 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.164 1.386 . . . . 0.0 113.262 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 56.12 34.47 23.92 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.553 1.541 . . . . 0.0 111.571 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -116.28 2.51 13.26 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 120.557 -1.34 . . . . 0.0 114.249 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.421 ' CE1' HG23 ' A' ' 34' ' ' THR . 43.9 t80 -73.87 87.1 1.77 Allowed 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -81.4 58.89 3.8 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 123.783 0.833 . . . . 0.0 110.161 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -150.86 -149.48 5.05 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 125.431 1.491 . . . . 0.0 110.705 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -82.47 84.65 7.13 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -57.6 -36.78 72.21 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 125.079 1.351 . . . . 0.0 108.653 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -55.12 -36.65 65.95 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 127.305 2.242 . . . . 0.0 112.667 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -71.81 -42.42 67.06 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 121.052 -1.03 . . . . 0.0 109.141 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -67.26 -52.3 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-O 118.3 -0.857 . . . . 0.0 109.404 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.1 p -52.25 -51.62 57.29 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 119.593 1.088 . . . . 0.0 111.526 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -60.91 -31.93 71.42 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 56.5 m -73.37 -44.56 58.38 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.7 mt -60.78 -34.63 74.77 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.05 -1.031 . . . . 0.0 110.028 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -61.44 -48.19 82.27 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.544 1.137 . . . . 0.0 110.416 178.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -57.16 -42.95 82.04 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.862 0.755 . . . . 0.0 110.705 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -67.02 -46.79 73.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 119.031 -0.509 . . . . 0.0 109.732 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.6 mt -59.56 -36.48 76.29 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.065 0.946 . . . . 0.0 111.883 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -57.46 -49.95 74.6 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.274 1.029 . . . . 0.0 109.903 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -77.41 -32.27 54.59 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.575 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -59.32 5.23 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -65.51 -12.89 56.95 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-N 120.174 1.352 . . . . 0.0 110.352 -179.094 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.89 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -65.98 105.32 0.8 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 124.033 3.155 . . . . 0.0 108.28 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 mtp -84.77 139.72 31.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -90.48 171.53 9.36 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.0 mt -39.95 -57.13 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 125.841 1.656 . . . . 0.0 114.122 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.3 t -58.37 -49.39 77.4 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 118.721 -0.657 . . . . 0.0 111.509 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.58 -39.86 85.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 119.18 0.9 . . . . 0.0 110.917 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -63.27 -62.71 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.413 ' HA ' HD12 ' A' ' 10' ' ' LEU . 51.9 ptt85 -57.51 -30.1 64.87 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.764 0.711 . . . . 0.0 112.77 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.07 -26.51 65.87 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 117.949 -1.024 . . . . 0.0 112.106 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.16 -39.07 16.8 Favored Glycine 0 C--N 1.342 0.872 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 7' ' ' ARG . 29.7 mt -55.71 -44.76 77.76 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 124.607 1.163 . . . . 0.0 111.698 -179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -63.17 -38.05 89.65 Favored 'General case' 0 N--CA 1.449 -0.482 0 O-C-N 123.438 0.461 . . . . 0.0 110.83 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 m -67.69 -37.77 82.75 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.429 ' HB3' HG22 ' A' ' 19' ' ' THR . 79.7 mt -63.27 -49.34 74.46 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.151 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.0 m -65.65 -35.94 76.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 119.391 0.996 . . . . 0.0 110.194 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -64.45 -24.7 67.71 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.288 1.035 . . . . 0.0 111.528 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -105.8 8.37 32.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.598 1.559 . . . . 0.0 110.469 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 60.58 12.82 3.82 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.491 2.316 . . . . 0.0 114.04 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.58 -20.33 63.18 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.642 1.577 . . . . 0.0 110.864 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.429 HG22 ' HB3' ' A' ' 13' ' ' LEU . 8.2 t -153.34 -177.62 6.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.193 1.797 . . . . 0.0 107.597 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.2 m -146.31 143.92 29.46 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 105.252 -2.129 . . . . 0.0 105.252 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -52.49 -41.68 63.61 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.91 1.686 . . . . 0.0 112.562 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.03 -43.98 97.68 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.458 0.703 . . . . 0.0 110.592 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -62.86 -47.13 84.67 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.647 1.179 . . . . 0.0 109.26 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 80.6 mt -58.1 -49.96 79.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.28 83.38 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 122.13 -0.356 . . . . 0.0 110.876 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.45 -53.43 54.93 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 122.848 0.459 . . . . 0.0 110.237 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.67 -47.71 74.56 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.661 0.784 . . . . 0.0 113.089 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 90.6 p -72.46 -21.45 61.23 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 118.95 0.796 . . . . 0.0 113.147 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.18 -2.12 87.55 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 mt -78.74 169.41 18.28 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 119.258 1.529 . . . . 0.0 109.413 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.1 t -83.75 147.14 27.79 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 p -60.94 -31.2 70.75 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.69 -29.71 63.01 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-O 118.81 -0.994 . . . . 0.0 111.706 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.6 m -70.08 -50.95 35.77 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 118.557 1.178 . . . . 0.0 111.645 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.7 mt -53.93 -51.49 44.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 123.244 0.618 . . . . 0.0 111.314 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.9 p -60.08 -43.04 95.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 118.043 0.383 . . . . 0.0 110.574 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -42.73 98.24 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.531 0.733 . . . . 0.0 110.143 179.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -62.69 -47.7 82.5 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.402 0.681 . . . . 0.0 109.4 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.05 -45.25 99.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 123.664 0.785 . . . . 0.0 109.375 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.93 -17.3 64.24 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.202 1.401 . . . . 0.0 111.48 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.8 t70 66.38 56.9 0.75 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.969 2.108 . . . . 0.0 105.606 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.433 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 0.5 OUTLIER -136.39 -1.14 2.36 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 128.095 2.558 . . . . 0.0 112.952 -178.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -77.76 106.19 9.42 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -82.25 -0.01 43.37 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.096 0.958 . . . . 0.0 112.029 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.75 -158.34 21.63 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -75.65 92.24 2.95 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -56.22 -39.58 72.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.486 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -67.68 -44.0 78.81 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 118.847 0.749 . . . . 0.0 109.935 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -56.29 -43.28 78.7 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.18 -0.95 . . . . 0.0 109.023 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.8 t -69.59 -48.88 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 118.125 -0.941 . . . . 0.0 109.052 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.3 p -54.01 -47.7 71.23 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.224 0.92 . . . . 0.0 110.572 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -61.38 -33.01 72.94 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 124.313 1.045 . . . . 0.0 111.627 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.1 m -73.3 -41.66 63.31 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.1 mt -67.9 -37.17 81.39 Favored 'General case' 0 C--O 1.227 -0.11 0 C-N-CA 123.674 0.789 . . . . 0.0 109.348 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -56.8 -58.4 8.27 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 126.523 1.929 . . . . 0.0 109.24 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.1 mtt-85 -56.1 -36.42 68.14 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -67.63 -48.77 65.79 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -36.75 83.61 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.703 0.801 . . . . 0.0 111.037 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -56.93 -49.56 75.25 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.5 1.52 . . . . 0.0 108.831 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -72.74 -31.73 65.17 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-N 119.088 0.858 . . . . 0.0 111.012 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -51.51 68.89 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.327 0.512 . . . . 0.0 109.927 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -77.88 5.12 10.29 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.789 0 CA-C-N 120.943 1.701 . . . . 0.0 109.852 -179.331 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.835 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -65.35 151.0 86.53 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.514 2.143 . . . . 0.0 111.055 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ptm -149.29 123.34 9.44 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.617 0.767 . . . . 0.0 109.904 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.29 158.03 9.87 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 58.5 mt -54.76 -32.68 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.506 0.722 . . . . 0.0 111.442 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -60.68 -31.38 70.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -81.37 -36.01 30.14 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 118.528 0.604 . . . . 0.0 110.308 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.54 -49.12 75.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -71.51 -24.02 61.89 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -51.08 67.78 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 119.242 0.928 . . . . 0.0 111.913 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.03 -42.31 54.26 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-O 122.026 0.792 . . . . 0.0 112.859 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.1 mt -59.23 -34.98 72.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 118.536 -0.745 . . . . 0.0 112.573 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -65.72 -45.96 80.73 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 m -58.99 -41.41 87.56 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 124.175 0.99 . . . . 0.0 110.481 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.32 -44.49 79.02 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 118.578 -0.725 . . . . 0.0 110.878 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.54 -33.21 55.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 118.872 -1.131 . . . . 0.0 110.875 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -60.12 -34.24 73.24 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.105 1.362 . . . . 0.0 110.801 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -97.28 6.59 48.12 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.62 1.168 . . . . 0.0 111.684 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 59.72 18.6 7.37 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.256 1.822 . . . . 0.0 112.355 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -64.6 -23.42 67.26 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 126.124 1.77 . . . . 0.0 110.123 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -155.68 172.48 18.23 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 124.258 1.023 . . . . 0.0 109.569 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.0 p -139.38 164.06 30.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 124.551 1.14 . . . . 0.0 109.725 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -58.4 -38.28 77.02 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.166 178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -72.01 -47.1 54.37 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.284 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -60.17 -48.04 83.39 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.659 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.9 mt -57.34 -50.05 78.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.39 89.97 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.151 0.98 . . . . 0.0 112.299 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.2 tp -67.41 -35.5 79.4 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 123.959 0.904 . . . . 0.0 111.688 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.47 -49.29 13.7 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 122.754 0.422 . . . . 0.0 110.841 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.6 p -74.06 -14.64 61.03 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.58 1.77 46.67 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.9 mt -82.25 164.44 21.18 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.2 m -82.85 148.74 27.56 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -56.95 -34.08 67.67 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.22 -37.01 80.67 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 118.791 0.723 . . . . 0.0 111.509 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.5 m -62.64 -47.28 84.4 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 118.291 -0.862 . . . . 0.0 111.866 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.6 mt -56.43 -53.87 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 119.94 1.246 . . . . 0.0 111.262 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 p -62.83 -39.67 95.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 119.293 -0.384 . . . . 0.0 111.689 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -63.68 -45.34 90.51 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -59.4 -49.25 78.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.096 1.358 . . . . 0.0 109.934 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.6 mt -60.68 -42.52 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 118.586 0.63 . . . . 0.0 109.897 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -75.42 2.05 12.41 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 117.214 -1.374 . . . . 0.0 113.14 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 57.88 44.86 19.29 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 120.659 1.572 . . . . 0.0 108.025 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.01 -6.26 7.86 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 127.349 2.26 . . . . 0.0 113.925 -178.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -80.82 157.63 25.66 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 120.725 1.602 . . . . 0.0 109.882 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -152.09 103.71 2.91 Favored 'General case' 0 CA--C 1.52 -0.192 0 O-C-N 120.982 -1.074 . . . . 0.0 108.761 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.01 107.69 0.99 Allowed Glycine 0 C--O 1.224 -0.507 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 55.98 39.33 30.54 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.034 0.917 . . . . 0.0 111.156 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -58.85 -34.6 71.76 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.108 -0.995 . . . . 0.0 110.008 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -67.2 -33.63 75.79 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.698 1.599 . . . . 0.0 110.013 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -65.31 -50.77 64.39 Favored 'General case' 0 C--N 1.341 0.198 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.26 -52.74 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.381 1.472 . . . . 0.0 110.706 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.4 p -53.83 -47.93 70.43 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 119.001 0.819 . . . . 0.0 110.272 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -64.24 -35.91 82.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.41 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.7 m -69.28 -36.8 77.43 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 73.0 mt -67.9 -32.39 72.83 Favored 'General case' 0 C--N 1.343 0.317 0 O-C-N 121.422 -0.799 . . . . 0.0 109.836 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -49.48 77.46 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.319 0.648 . . . . 0.0 111.044 178.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.7 mtt85 -59.53 -38.09 80.1 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 122.234 -0.291 . . . . 0.0 110.929 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 50.4 t90 -69.36 -42.43 75.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 118.969 -0.539 . . . . 0.0 110.12 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -36.27 83.23 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.179 0.899 . . . . 0.0 109.625 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -59.42 -46.34 88.99 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 117.153 -1.404 . . . . 0.0 109.533 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -72.34 -31.83 65.98 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.79 1.177 . . . . 0.0 111.319 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.62 -52.24 53.45 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -92.32 2.72 56.47 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.92 0 CA-C-N 121.759 2.072 . . . . 0.0 109.889 178.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.622 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.95 166.01 30.69 Favored 'Trans proline' 0 N--CA 1.454 -0.796 0 C-N-CA 122.17 1.913 . . . . 0.0 108.445 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 ptm -153.38 166.31 33.04 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -113.71 178.06 4.41 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.724 0.773 . . . . 0.0 111.335 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.7 mt -51.99 -42.79 35.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 125.135 1.374 . . . . 0.0 111.803 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 p -65.86 -43.53 88.15 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.347 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.88 -43.08 85.84 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 123.922 0.889 . . . . 0.0 110.387 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.03 -56.66 15.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 C-N-CA 124.903 1.281 . . . . 0.0 108.324 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -63.58 -35.29 80.0 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 119.324 -0.95 . . . . 0.0 111.079 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.84 -17.67 65.0 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 124.193 0.997 . . . . 0.0 112.175 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.7 -56.23 2.15 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.5 mt -52.53 -33.58 45.97 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.907 1.683 . . . . 0.0 113.473 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -50.99 -47.98 61.41 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 m -57.47 -48.58 78.8 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.33 1.452 . . . . 0.0 110.296 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.36 -38.05 68.31 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.179 1.392 . . . . 0.0 113.397 -179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.5 m -82.17 -24.97 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 118.889 -1.124 . . . . 0.0 112.313 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -74.1 -34.91 64.11 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.81 -0.02 56.95 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.708 1.603 . . . . 0.0 112.46 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 56.96 28.67 15.07 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.765 1.226 . . . . 0.0 112.326 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.33 -12.12 48.71 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.925 1.69 . . . . 0.0 110.56 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 t -173.86 -171.21 0.63 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 129.957 3.303 . . . . 0.0 105.828 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 p -137.11 162.06 34.42 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 127.113 2.165 . . . . 0.0 106.44 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -60.04 -37.15 78.94 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -67.72 -43.52 79.8 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.94 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -66.44 -42.45 87.66 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.768 0.713 . . . . 0.0 109.451 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.6 -47.22 91.82 Favored 'Isoleucine or valine' 0 C--N 1.341 0.226 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.57 83.86 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 119.007 0.821 . . . . 0.0 110.606 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.13 -54.28 46.49 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.709 0.803 . . . . 0.0 111.476 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -72.75 -41.79 64.73 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 124.591 1.157 . . . . 0.0 113.963 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.1 p -73.77 -31.03 63.11 Favored 'General case' 0 C--N 1.333 -0.141 0 O-C-N 121.466 -0.771 . . . . 0.0 111.534 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.04 -4.41 62.8 Favored Glycine 0 CA--C 1.537 1.407 0 N-CA-C 110.414 -1.074 . . . . 0.0 110.414 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.0 mt -76.87 -174.04 2.91 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.902 1.681 . . . . 0.0 109.655 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 t -105.08 149.89 25.46 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 m -59.55 -34.43 72.67 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.452 1.101 . . . . 0.0 109.634 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.18 -50.94 54.36 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.869 -1.292 . . . . 0.0 109.869 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 90.6 m -51.9 -55.58 19.3 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.712 2.005 . . . . 0.0 112.935 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.0 mt -54.06 -55.87 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 123.57 0.748 . . . . 0.0 112.763 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -64.06 -32.11 73.54 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.883 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t -70.31 -31.72 69.16 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.686 0.675 . . . . 0.0 109.455 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -66.94 -53.05 35.63 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 107.597 -1.26 . . . . 0.0 107.597 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.9 mt -62.16 -42.66 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 123.353 0.661 . . . . 0.0 111.355 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -72.78 -3.54 25.96 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.565 0.62 . . . . 0.0 110.849 178.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 53.93 52.41 12.97 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 126.979 2.111 . . . . 0.0 108.627 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -127.51 -15.5 5.04 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 126.55 1.94 . . . . 0.0 111.724 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -70.55 142.6 51.76 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -142.38 84.02 1.85 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.03 88.76 0.07 OUTLIER Glycine 0 C--N 1.33 0.2 0 O-C-N 121.188 -0.945 . . . . 0.0 110.856 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 60.29 53.68 4.27 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.962 1.305 . . . . 0.0 110.201 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.78 -31.71 72.52 Favored 'General case' 0 C--N 1.333 -0.116 0 C-N-CA 124.475 1.11 . . . . 0.0 110.854 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -65.1 -35.64 81.77 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.93 0.872 . . . . 0.0 109.945 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -67.54 -35.53 79.24 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.43 -51.71 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-O 117.816 -1.088 . . . . 0.0 108.064 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.0 p -54.59 -45.14 73.54 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-N 119.798 1.181 . . . . 0.0 111.021 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -60.45 -36.34 77.99 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 118.597 0.635 . . . . 0.0 111.476 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.0 m -70.5 -39.62 74.04 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.98 -38.38 88.4 Favored 'General case' 0 C--N 1.339 0.131 0 CA-C-O 118.545 -0.74 . . . . 0.0 109.353 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -53.92 51.42 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 124.184 0.994 . . . . 0.0 110.351 178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -55.28 -32.75 62.64 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -78.2 -48.69 15.28 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.99 -36.25 78.95 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.322 1.049 . . . . 0.0 111.252 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -55.48 -44.22 76.29 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 125.023 1.329 . . . . 0.0 110.061 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -82.72 -31.57 28.42 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.269 -0.895 . . . . 0.0 111.528 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.0 -62.66 1.32 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.1 0.56 . . . . 0.0 109.989 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -74.9 -29.96 61.14 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.171 1.389 . . . . 0.0 111.977 -179.633 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.726 0 N-CA-C 112.243 -0.343 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -61.6 128.47 24.75 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 124.048 3.165 . . . . 0.0 108.739 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 ptm -148.8 149.57 31.57 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -86.52 169.59 12.67 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 mt -53.08 -41.9 43.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 118.488 0.586 . . . . 0.0 109.961 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.9 p -56.52 -29.35 61.77 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.264 1.025 . . . . 0.0 113.374 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -81.65 -32.63 31.79 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 123.875 0.87 . . . . 0.0 111.723 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.6 mt -63.86 -60.84 2.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 C-N-CA 124.167 0.987 . . . . 0.0 108.383 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.1 ptt85 -60.27 -34.63 74.0 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.32 -14.53 61.0 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 117.948 -1.025 . . . . 0.0 113.516 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.03 -48.83 3.01 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.4 mt -52.76 -34.62 53.85 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.68 1.192 . . . . 0.0 112.918 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -61.16 -44.21 97.66 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.729 0.412 . . . . 0.0 109.897 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -62.82 -39.37 94.08 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.879 1.272 . . . . 0.0 108.858 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -51.77 68.3 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 125.077 1.351 . . . . 0.0 110.32 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.89 -30.6 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 O-C-N 121.911 -0.493 . . . . 0.0 112.051 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.2 -36.36 79.68 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 121.357 -0.839 . . . . 0.0 110.787 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -97.21 8.81 43.79 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.199 1.4 . . . . 0.0 111.692 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 56.57 24.1 8.37 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.346 1.858 . . . . 0.0 112.372 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.96 -29.72 67.37 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 125.52 1.528 . . . . 0.0 110.184 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -163.29 -179.72 6.79 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.619 1.567 . . . . 0.0 106.866 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.2 m -138.4 159.55 41.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -52.44 -38.43 59.18 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 123.226 0.61 . . . . 0.0 111.177 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -57.04 -52.57 64.73 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 123.985 0.914 . . . . 0.0 110.42 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -64.81 -52.26 57.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 117.401 -1.285 . . . . 0.0 109.192 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.7 mt -51.27 -45.46 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 CA-C-N 120.359 1.436 . . . . 0.0 109.478 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.23 -45.54 84.25 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.376 1.07 . . . . 0.0 111.617 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.84 -41.02 99.18 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.922 0.489 . . . . 0.0 110.211 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.05 -39.93 87.0 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.626 1.571 . . . . 0.0 111.992 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.9 p -93.86 -8.04 41.5 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.3 5.34 62.56 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.862 1.22 . . . . 0.0 111.043 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.9 mt -82.16 171.94 13.74 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.089 1.444 . . . . 0.0 108.677 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.97 145.57 27.06 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.7 p -61.12 -35.01 75.88 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.309 -0.869 . . . . 0.0 113.088 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.41 -21.18 79.21 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-N 119.14 0.882 . . . . 0.0 112.6 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.9 m -70.21 -53.83 15.37 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 118.107 0.953 . . . . 0.0 109.898 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.2 mt -54.29 -51.8 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 C-N-CA 124.166 0.986 . . . . 0.0 110.833 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.4 p -60.47 -39.29 87.09 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 111.527 0.195 . . . . 0.0 111.527 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 t -67.55 -43.83 79.77 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.61 0.364 . . . . 0.0 110.268 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.1 -48.44 76.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 126.126 1.77 . . . . 0.0 109.136 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.7 mt -60.5 -32.91 52.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 124.582 1.153 . . . . 0.0 111.535 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -88.16 1.79 53.6 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.642 1.177 . . . . 0.0 112.129 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.94 35.32 16.32 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 128.489 2.716 . . . . 0.0 110.924 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -120.86 5.31 10.46 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 125.15 1.38 . . . . 0.0 114.072 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -70.16 98.76 1.39 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 120.458 1.481 . . . . 0.0 108.589 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -79.46 71.09 6.01 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -161.9 -165.17 18.33 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 125.414 1.483 . . . . 0.0 109.595 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -71.56 87.97 0.92 Allowed 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.205 1.402 . . . . 0.0 109.179 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -70.81 -31.35 68.07 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 117.031 -1.461 . . . . 0.0 111.319 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -59.33 -35.08 73.18 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 119.313 0.961 . . . . 0.0 110.318 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -74.09 -45.37 49.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 82.5 t -61.34 -49.94 82.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.062 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.7 p -54.32 -54.01 46.15 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.113 0.965 . . . . 0.0 108.523 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -56.18 -40.47 74.01 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-O 117.541 -1.219 . . . . 0.0 112.637 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.6 m -69.77 -38.36 76.71 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 120.144 1.338 . . . . 0.0 109.27 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.0 mt -67.75 -32.03 72.36 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-O 117.651 -1.166 . . . . 0.0 109.836 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -61.01 -51.77 67.82 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.759 1.163 . . . . 0.0 109.589 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -56.82 -46.16 81.83 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -60.94 -47.28 87.17 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 122.647 0.379 . . . . 0.0 110.197 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.99 -35.97 82.44 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.029 1.331 . . . . 0.0 111.811 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -60.93 -40.49 93.4 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -78.38 -37.83 43.24 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 119.179 0.899 . . . . 0.0 110.147 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.44 -49.0 77.65 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 119.03 0.832 . . . . 0.0 110.685 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -75.58 0.26 18.03 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.203 0 CA-C-N 120.754 1.615 . . . . 0.0 109.932 -179.244 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.75 0 CA-C-O 118.645 -1.086 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -75.36 7.98 2.76 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 124.168 3.245 . . . . 0.0 114.807 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 ptm -59.0 138.33 57.56 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.927 1.239 . . . . 0.0 108.842 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -72.49 165.25 25.0 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' A' ' 6' ' ' ILE . 8.3 mt -52.7 -39.03 29.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 124.244 1.018 . . . . 0.0 109.423 178.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 t -60.52 -35.53 76.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.639 1.176 . . . . 0.0 110.881 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -72.58 -33.25 66.62 Favored 'General case' 0 CA--C 1.519 -0.239 0 O-C-N 120.843 -1.16 . . . . 0.0 110.58 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 3' ' ' ILE . 57.9 mt -59.17 -54.83 28.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -59.93 -41.8 92.56 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.656 -0.418 . . . . 0.0 109.945 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.18 -13.83 51.18 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.863 1.265 . . . . 0.0 113.498 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.72 -52.78 1.76 Allowed Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 107.027 -2.429 . . . . 0.0 107.027 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.434 HD11 HD13 ' A' ' 54' ' ' LEU . 40.4 mt -52.94 -35.53 58.74 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.447 1.099 . . . . 0.0 112.143 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -57.11 -46.95 82.19 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 108.976 -0.749 . . . . 0.0 108.976 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.7 m -57.95 -45.13 87.13 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.047 0.939 . . . . 0.0 110.014 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.74 -45.59 93.71 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.887 0.875 . . . . 0.0 111.198 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.4 m -77.75 -34.24 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 119.684 1.129 . . . . 0.0 112.092 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.88 -32.46 74.18 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 121.078 -1.014 . . . . 0.0 112.356 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -99.45 14.83 28.44 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.735 0.698 . . . . 0.0 111.402 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 52.8 38.8 27.52 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.386 1.474 . . . . 0.0 110.434 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.95 -44.14 41.37 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -151.91 144.65 24.32 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.3 p -88.74 165.42 14.73 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.91 0.386 . . . . 0.0 110.202 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -57.12 -37.48 72.03 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -63.0 -53.28 56.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.3 1.04 . . . . 0.0 109.562 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.531 HE21 ' HG3' ' A' ' 27' ' ' GLU . 50.0 tp60 -59.64 -45.2 92.69 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.543 -0.741 . . . . 0.0 111.343 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.59 -45.65 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.29 97.47 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 121.369 -0.832 . . . . 0.0 111.309 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 tp -59.15 -43.95 92.07 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 124.662 1.185 . . . . 0.0 110.054 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.531 ' HG3' HE21 ' A' ' 23' ' ' GLN . 66.3 mt-10 -76.75 -44.61 32.42 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.406 1.083 . . . . 0.0 112.88 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 87.7 p -78.24 -12.88 60.03 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.81 2.39 81.32 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 121.203 -0.935 . . . . 0.0 111.325 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 96.7 mt -85.24 -175.3 5.66 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.6 t -104.78 153.11 21.74 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.6 p -58.79 -42.11 88.3 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.43 -53.01 49.74 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-O 117.95 -1.472 . . . . 0.0 109.459 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.6 m -45.89 -55.34 6.83 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 124.963 1.305 . . . . 0.0 110.601 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.2 mt -55.65 -57.18 8.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 C-N-CA 124.131 0.972 . . . . 0.0 110.959 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 p -56.97 -37.48 71.66 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -44.0 68.07 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.077 1.351 . . . . 0.0 110.669 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -59.62 -38.46 81.38 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 126.311 1.844 . . . . 0.0 109.953 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -72.77 -52.02 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 C-N-CA 124.853 1.261 . . . . 0.0 108.485 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -71.85 13.51 0.28 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 61.52 15.46 6.74 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 120.377 -1.452 . . . . 0.0 112.936 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -93.73 -23.52 18.18 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 120.5 -1.375 . . . . 0.0 113.034 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.4 ' CE2' HG21 ' A' ' 50' ' ' VAL . 34.5 t80 -64.92 145.71 55.94 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 120.095 1.316 . . . . 0.0 109.124 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -150.59 146.06 26.3 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.531 1.132 . . . . 0.0 108.058 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.52 -97.37 0.29 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 107.261 -2.336 . . . . 0.0 107.261 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -125.06 66.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.938 1.695 . . . . 0.0 109.857 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -54.34 -32.11 55.98 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 114.36 -1.291 . . . . 0.0 110.83 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -66.11 -34.53 78.26 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.312 1.845 . . . . 0.0 110.624 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -75.23 -39.89 59.53 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 119.418 -2.052 . . . . 0.0 108.325 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.4 HG21 ' CE2' ' A' ' 43' ' ' TYR . 79.4 t -64.3 -47.78 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 81.5 p -57.71 -50.1 74.32 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 48.6 mm-40 -58.39 -39.25 79.15 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.42 0.688 . . . . 0.0 111.622 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.1 m -65.2 -38.79 91.56 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.434 HD13 HD11 ' A' ' 10' ' ' LEU . 84.2 mt -69.03 -44.04 73.51 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 118.31 -0.853 . . . . 0.0 108.821 179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -52.36 -47.38 66.15 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 124.098 0.959 . . . . 0.0 111.502 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -61.27 -42.97 99.53 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 118.76 0.709 . . . . 0.0 111.584 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 67.8 t90 -63.47 -49.73 72.47 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.808 0.843 . . . . 0.0 109.303 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -36.44 75.2 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 126.296 1.839 . . . . 0.0 112.303 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.58 -43.9 95.65 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.514 1.126 . . . . 0.0 110.558 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -31.13 57.28 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.72 1.145 . . . . 0.0 109.466 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.88 -58.12 9.18 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 118.726 -0.654 . . . . 0.0 110.107 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -82.59 9.93 8.42 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.144 0 O-C-N 120.358 -1.464 . . . . 0.0 107.398 179.353 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.376 0 N-CA-C 107.638 -2.185 . . . . 0.0 107.638 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -72.15 171.62 16.43 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.19 1.926 . . . . 0.0 108.728 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 mtm -129.5 146.73 51.3 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 122.991 0.516 . . . . 0.0 109.953 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -78.3 167.89 20.67 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.6 mm -52.54 -44.89 46.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 124.071 0.948 . . . . 0.0 110.373 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.1 t -60.99 -45.09 96.19 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 119.144 -0.455 . . . . 0.0 110.327 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.33 -42.18 98.94 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.628 0.771 . . . . 0.0 110.671 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.83 -57.13 10.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 C-N-CA 125.526 1.53 . . . . 0.0 107.055 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -67.61 -31.28 71.21 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.272 0.942 . . . . 0.0 112.29 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.84 -40.28 75.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 119.028 0.831 . . . . 0.0 110.973 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.17 -46.65 78.27 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.2 mt -56.96 -46.93 81.79 Favored 'General case' 0 CA--C 1.516 -0.327 0 O-C-N 121.905 -0.762 . . . . 0.0 112.313 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.23 -40.6 94.64 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.765 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -65.23 -42.77 93.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 119.161 0.892 . . . . 0.0 109.644 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.499 ' HB3' HG22 ' A' ' 19' ' ' THR . 90.3 mt -60.91 -46.85 89.03 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.702 -179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.5 m -75.23 -30.68 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 120.603 1.547 . . . . 0.0 112.176 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -67.77 -23.01 65.17 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 123.746 0.818 . . . . 0.0 111.852 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -108.8 11.38 26.29 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 125.803 1.641 . . . . 0.0 110.91 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 60.66 14.88 5.31 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.13 1.772 . . . . 0.0 113.503 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.9 -23.48 67.24 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.026 1.33 . . . . 0.0 111.686 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 13' ' ' LEU . 4.8 t -153.03 -175.62 5.41 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.947 2.099 . . . . 0.0 108.471 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.4 m -147.84 152.45 37.66 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -52.61 -41.81 64.03 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 119.336 0.971 . . . . 0.0 112.235 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -64.57 -37.8 88.79 Favored 'General case' 0 C--O 1.226 -0.145 0 CA-C-O 118.988 -0.53 . . . . 0.0 110.931 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -67.13 -48.32 68.41 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.3 mt -55.49 -46.58 78.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.6 84.85 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.126 0.876 . . . . 0.0 111.918 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -59.76 -46.97 87.54 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.653 0.781 . . . . 0.0 112.194 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -74.8 -44.41 49.59 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.616 0.766 . . . . 0.0 112.083 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.8 p -73.0 -31.7 64.66 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.229 -0.919 . . . . 0.0 112.065 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.1 0.63 80.45 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 125.829 1.68 . . . . 0.0 110.666 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.4 mt -88.71 167.82 13.01 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.729 1.265 . . . . 0.0 108.551 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -76.19 154.31 35.44 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.4 p -61.04 -36.36 79.35 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.85 -46.32 93.85 Favored Glycine 0 C--N 1.339 0.744 0 CA-C-O 118.316 -1.269 . . . . 0.0 110.759 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.7 m -52.2 -52.2 53.61 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.323 1.049 . . . . 0.0 110.276 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.7 mt -54.2 -56.93 7.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 C-N-CA 124.014 0.926 . . . . 0.0 110.12 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 p -57.67 -39.9 78.16 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -46.35 80.31 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 122.999 0.519 . . . . 0.0 111.494 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.8 -44.66 86.45 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.927 1.291 . . . . 0.0 109.958 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.7 mt -65.09 -45.7 93.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.1 m-20 -75.55 0.62 16.71 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.0 t70 60.36 30.28 19.68 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.787 1.176 . . . . 0.0 109.768 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -117.68 4.75 12.31 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.284 1.834 . . . . 0.0 113.353 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -63.06 155.54 27.45 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.251 0.932 . . . . 0.0 110.258 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -56.06 -50.91 69.65 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.381 1.073 . . . . 0.0 113.204 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.88 -177.75 32.8 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 61.04 38.88 16.93 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 123.154 1.454 . . . . 0.0 108.565 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -53.47 -31.2 44.66 Favored 'General case' 0 C--N 1.339 0.119 0 C-N-CA 127.304 2.241 . . . . 0.0 112.418 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -59.99 -34.14 72.91 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -68.97 -34.51 75.43 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.376 -1.452 . . . . 0.0 109.083 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.16 -52.97 25.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 124.353 1.061 . . . . 0.0 109.637 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.3 p -51.8 -50.41 60.82 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 124.475 1.11 . . . . 0.0 111.544 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -61.3 -29.55 69.94 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.725 0.81 . . . . 0.0 112.351 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.5 m -79.72 -37.91 34.54 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.6 mt -73.23 -31.25 64.03 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.973 1.309 . . . . 0.0 110.539 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -58.92 6.53 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.795 1.238 . . . . 0.0 108.46 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -55.78 -39.99 72.04 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 118.988 -0.529 . . . . 0.0 111.862 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -62.85 -48.28 79.74 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 123.926 0.766 . . . . 0.0 110.685 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -39.76 78.35 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.22 -41.68 89.22 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.431 0.457 . . . . 0.0 109.786 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -31.41 61.76 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-O 119.138 -0.458 . . . . 0.0 110.193 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -48.74 80.49 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -74.22 8.54 2.1 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.49 0.716 . . . . 0.0 112.708 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.963 0 C-N-CA 126.028 1.731 . . . . 0.0 107.006 179.366 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.713 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -73.47 115.54 4.37 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 122.226 1.951 . . . . 0.0 108.457 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptm -64.39 145.76 55.54 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -75.5 162.09 28.62 Favored 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 118.975 -1.09 . . . . 0.0 108.703 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 mt -58.53 -32.82 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.662 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.1 m -62.6 -34.75 77.65 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 124.295 1.038 . . . . 0.0 109.903 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -71.84 -42.4 66.99 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 119.66 1.118 . . . . 0.0 109.676 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -52.03 -56.61 5.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 C-N-CA 124.247 1.019 . . . . 0.0 108.853 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 ptt-85 -67.67 -31.61 71.71 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 118.42 -0.8 . . . . 0.0 111.972 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.77 88.89 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 119.149 0.886 . . . . 0.0 111.431 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.57 93.65 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.3 mt -62.3 -34.12 75.99 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.742 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -57.93 -50.76 72.24 Favored 'General case' 0 C--N 1.344 0.368 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -54.2 -47.57 71.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.0 1.32 . . . . 0.0 109.919 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -56.21 -49.14 74.94 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.419 0.688 . . . . 0.0 111.373 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -77.64 -32.39 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 118.184 -0.913 . . . . 0.0 113.26 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.23 -33.55 76.07 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.216 1.406 . . . . 0.0 109.51 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -97.75 11.38 37.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.4 1.08 . . . . 0.0 110.363 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 47.3 29.68 1.31 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.32 2.248 . . . . 0.0 113.532 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -59.57 -36.52 76.38 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 125.943 1.697 . . . . 0.0 108.021 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 t -153.99 175.6 13.19 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 125.425 1.49 . . . . 0.0 107.852 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.96 153.52 37.17 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.145 1.778 . . . . 0.0 106.774 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -52.12 -39.25 59.58 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.707 1.139 . . . . 0.0 112.631 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -50.98 67.64 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.045 0.938 . . . . 0.0 111.405 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -63.48 -38.84 92.68 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.993 -0.527 . . . . 0.0 109.92 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 69.7 mt -58.99 -46.05 91.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.449 ' HA ' HD11 ' A' ' 35' ' ' ILE . . . -60.67 -49.36 77.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.287 0.949 . . . . 0.0 111.399 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.9 tp -54.4 -51.22 65.55 Favored 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 124.221 1.008 . . . . 0.0 111.21 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -79.9 -23.03 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.4 p -93.03 -21.08 19.95 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 119.676 1.126 . . . . 0.0 112.207 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.54 -0.92 78.21 Favored Glycine 0 CA--C 1.536 1.402 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.0 mt -89.17 -172.68 3.75 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 125.531 1.532 . . . . 0.0 107.187 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 t -115.81 148.86 39.42 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.51 -50.92 61.85 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.458 1.503 . . . . 0.0 110.42 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.6 -38.44 87.67 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 119.151 -0.805 . . . . 0.0 111.963 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.3 m -67.3 -54.33 21.73 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.595 1.158 . . . . 0.0 109.756 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.449 HD11 ' HA ' ' A' ' 25' ' ' ALA . 27.9 mt -54.02 -54.28 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.118 0.967 . . . . 0.0 109.611 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -54.79 -44.17 73.51 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 123.962 0.905 . . . . 0.0 110.071 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -69.81 -37.73 76.36 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.358 0.526 . . . . 0.0 111.517 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -61.99 -45.77 92.17 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.78 -47.88 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -70.38 1.05 5.42 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.625 1.17 . . . . 0.0 112.135 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.06 -1.64 1.38 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 127.129 2.172 . . . . 0.0 112.148 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -71.89 -25.44 61.93 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 127.824 2.449 . . . . 0.0 115.121 -177.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -63.76 149.09 47.57 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -153.96 97.4 2.07 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.89 92.94 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 49.05 47.38 21.92 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.748 1.219 . . . . 0.0 110.04 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -55.76 -31.46 62.59 Favored 'General case' 0 C--O 1.23 0.054 0 C-N-CA 124.188 0.995 . . . . 0.0 113.497 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -63.8 -36.75 84.94 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.406 1.003 . . . . 0.0 109.628 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -63.21 -37.92 89.13 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.4 t -65.02 -52.65 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 117.362 -1.304 . . . . 0.0 108.11 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.4 p -54.81 -51.99 64.09 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 120.044 1.293 . . . . 0.0 110.234 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -55.76 -40.23 72.29 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.004 0.922 . . . . 0.0 111.488 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.0 m -68.66 -37.66 79.81 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 118.524 0.602 . . . . 0.0 110.084 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.5 mt -67.13 -36.32 81.64 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 118.267 -0.873 . . . . 0.0 109.168 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -57.7 -50.33 73.56 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 123.304 0.642 . . . . 0.0 109.697 179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -58.51 -44.14 89.36 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 122.349 0.26 . . . . 0.0 110.963 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -64.09 -45.7 87.55 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 118.688 -0.672 . . . . 0.0 109.499 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.61 -37.22 85.41 Favored 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 123.932 0.893 . . . . 0.0 110.823 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.91 -42.27 98.89 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.749 0.82 . . . . 0.0 108.834 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -72.94 -30.41 63.84 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.339 -0.851 . . . . 0.0 110.712 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.01 -61.63 1.82 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.735 1.214 . . . . 0.0 113.2 -179.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -67.22 -14.82 63.27 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 117.329 2.344 . . . . 0.0 117.329 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.954 0 CA-C-N 120.798 1.635 . . . . 0.0 111.09 -179.359 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.864 0 CA-C-O 119.219 -0.767 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -53.53 108.96 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 124.411 3.407 . . . . 0.0 112.61 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.5 mtp -63.44 133.1 53.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 127.145 2.178 . . . . 0.0 110.414 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.6 p-10 -77.33 168.52 19.9 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.4 mt -49.84 -40.84 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 124.668 1.187 . . . . 0.0 112.005 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 m -65.51 -41.99 92.55 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.158 0.583 . . . . 0.0 112.484 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -74.15 -38.08 63.84 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.247 0.93 . . . . 0.0 109.426 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -51.7 -55.29 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.9 ptt-85 -67.73 -27.23 66.62 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 118.413 -0.803 . . . . 0.0 112.18 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.46 -30.35 69.61 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 119.205 0.912 . . . . 0.0 111.587 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.81 -42.9 19.55 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.4 mt -58.6 -42.79 88.95 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 118.314 -0.851 . . . . 0.0 112.911 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -55.72 -44.09 77.14 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 124.124 0.89 . . . . 0.0 109.333 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -57.92 -48.43 79.92 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.35 0.977 . . . . 0.0 110.516 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.37 -46.88 85.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.978 0.911 . . . . 0.0 111.497 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.63 -32.4 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 121.06 -1.025 . . . . 0.0 112.245 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.33 -24.79 67.36 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.875 1.27 . . . . 0.0 111.935 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -109.21 10.92 25.72 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.646 0.778 . . . . 0.0 111.871 -179.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 56.31 24.03 7.85 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.637 1.975 . . . . 0.0 112.655 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.26 -22.52 66.92 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 126.577 1.951 . . . . 0.0 113.057 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -157.82 -166.57 2.02 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 127.8 2.44 . . . . 0.0 105.263 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 m -144.64 151.86 39.61 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 120.403 -1.436 . . . . 0.0 107.581 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -52.53 -34.42 49.82 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.567 1.076 . . . . 0.0 112.432 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -62.84 -47.0 85.29 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 118.215 0.461 . . . . 0.0 111.316 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -65.63 -43.71 88.68 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.024 -0.989 . . . . 0.0 108.945 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 54.6 mt -56.8 -47.56 82.61 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.19 -51.2 71.03 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.392 1.077 . . . . 0.0 111.276 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.27 -42.26 95.03 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.951 1.3 . . . . 0.0 112.709 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.29 -43.63 50.06 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.071 1.348 . . . . 0.0 111.835 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.8 p -73.52 -36.08 65.67 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 121.33 -0.856 . . . . 0.0 111.516 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.25 16.95 38.66 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 125.651 1.596 . . . . 0.0 110.206 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.7 mt -104.73 167.17 9.89 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 126.277 1.831 . . . . 0.0 107.578 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 p -88.05 155.29 19.88 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.2 p -59.36 -31.42 69.18 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.026 -1.046 . . . . 0.0 111.954 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.63 -40.68 58.6 Favored Glycine 0 C--N 1.338 0.681 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 83.1 m -57.65 -52.46 65.32 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 117.726 0.763 . . . . 0.0 110.633 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -56.68 -49.19 79.08 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 C-N-CA 123.31 0.644 . . . . 0.0 109.574 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.3 t -59.24 -44.47 92.35 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.537 0.608 . . . . 0.0 110.978 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -67.66 -30.16 69.63 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.468 -0.77 . . . . 0.0 110.494 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -70.64 -48.63 53.98 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.01 -41.87 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -73.29 -3.81 29.28 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.565 0.746 . . . . 0.0 110.592 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.3 t70 58.67 19.88 7.21 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 128.258 2.623 . . . . 0.0 113.101 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -85.12 -27.96 25.89 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 126.377 1.871 . . . . 0.0 112.539 -179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -60.23 140.58 56.93 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -144.66 108.09 4.61 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.99 92.58 2.19 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-O 118.343 -1.254 . . . . 0.0 110.523 178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 107.22 17.63 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 130.591 3.556 . . . . 0.0 110.651 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -55.01 -33.98 63.08 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.345 1.058 . . . . 0.0 110.934 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -68.47 -45.14 73.22 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.947 0.794 . . . . 0.0 109.421 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.3 ttt85 -56.36 -51.2 69.17 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 123.266 0.626 . . . . 0.0 109.593 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.9 t -62.4 -52.81 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 C-N-CA 123.201 0.6 . . . . 0.0 109.947 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.5 p -57.99 -43.29 86.47 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 118.912 0.778 . . . . 0.0 112.158 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -64.3 -29.07 70.16 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 119.907 1.23 . . . . 0.0 111.119 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.2 m -74.8 -39.81 61.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.4 mt -71.43 -31.23 66.97 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.731 0.812 . . . . 0.0 109.982 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -58.74 -57.49 12.79 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 124.575 1.15 . . . . 0.0 108.822 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.7 mtp85 -55.75 -45.11 78.13 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 123.339 0.399 . . . . 0.0 111.113 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.441 ' CZ2' ' CE1' ' A' ' 61' ' ' TYR . 86.0 t90 -58.09 -48.36 80.39 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.603 0.761 . . . . 0.0 111.233 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -37.23 72.74 Favored 'General case' 0 N--CA 1.445 -0.701 0 C-N-CA 124.286 1.034 . . . . 0.0 112.131 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.87 -50.19 73.23 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.83 -30.29 70.44 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.343 0.657 . . . . 0.0 111.042 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.441 ' CE1' ' CZ2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -59.6 -31.86 69.87 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.265 -0.897 . . . . 0.0 109.474 178.725 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -111.47 7.93 20.93 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.334 1.854 . . . . 0.0 113.331 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.793 0 CA-C-N 120.098 1.317 . . . . 0.0 109.062 179.792 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.76 0 N-CA-C 109.671 -1.371 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.13 166.65 24.29 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 CA-C-N 119.399 1.599 . . . . 0.0 109.875 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ptp -159.64 -171.13 3.16 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.869 1.267 . . . . 0.0 109.647 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -147.36 174.12 11.96 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.5 1.52 . . . . 0.0 109.002 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.4 mt -49.24 -43.53 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.984 1.314 . . . . 0.0 112.691 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -29.0 70.33 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.93 -47.65 36.16 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.362 1.065 . . . . 0.0 108.692 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.0 mt -50.89 -60.53 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 126.127 1.771 . . . . 0.0 108.25 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -64.17 -26.0 68.33 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 118.371 -0.823 . . . . 0.0 112.931 -179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.63 -20.53 61.96 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 119.339 0.972 . . . . 0.0 112.098 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.39 -47.18 3.85 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 178.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.2 mt -57.76 -34.72 69.85 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.576 -0.955 . . . . 0.0 113.177 -179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -59.71 -45.35 92.41 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.508 0.595 . . . . 0.0 109.675 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 m -64.22 -42.59 96.5 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 125.124 1.369 . . . . 0.0 109.014 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -46.77 83.94 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.796 0.838 . . . . 0.0 111.791 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 m -72.63 -37.47 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 C-N-CA 118.66 -1.216 . . . . 0.0 111.228 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -63.88 -32.71 74.32 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.31 0.644 . . . . 0.0 110.87 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -92.31 4.8 52.59 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.227 1.011 . . . . 0.0 111.171 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 52.74 33.95 15.13 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.29 1.036 . . . . 0.0 111.279 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.78 -18.25 64.8 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.79 1.236 . . . . 0.0 109.686 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 t -171.28 -168.21 0.61 Allowed 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 128.925 2.89 . . . . 0.0 106.363 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.5 p -135.56 160.3 38.92 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.885 1.674 . . . . 0.0 107.202 177.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -53.59 -36.22 61.7 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 122.067 -0.396 . . . . 0.0 110.515 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' HA ' HG22 ' A' ' 32' ' ' THR . 36.6 ttmt -68.67 -49.68 57.09 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 117.923 -1.037 . . . . 0.0 111.021 179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -60.24 -38.22 82.78 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.109 0.868 . . . . 0.0 110.399 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.8 mt -62.66 -47.4 93.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.25 79.89 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.569 0.747 . . . . 0.0 111.472 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.52 -56.64 17.82 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.935 1.294 . . . . 0.0 109.295 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.48 -45.15 84.8 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.836 1.254 . . . . 0.0 113.909 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.2 p -77.69 -19.91 54.54 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.58 -3.11 87.31 Favored Glycine 0 CA--C 1.538 1.474 0 O-C-N 121.234 -0.916 . . . . 0.0 110.921 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.4 mt -82.9 178.27 8.24 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 119.137 1.469 . . . . 0.0 110.023 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.3 t -91.98 150.2 21.13 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 22' ' ' LYS . 71.8 p -60.18 -42.93 96.06 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 122.885 0.474 . . . . 0.0 110.467 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.77 -36.15 86.68 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 124.138 0.875 . . . . 0.0 111.586 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.2 m -60.57 -49.26 78.27 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 117.734 0.767 . . . . 0.0 110.187 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.1 mt -54.59 -52.17 43.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 118.657 0.662 . . . . 0.0 110.173 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.0 p -61.25 -44.84 96.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.991 -0.528 . . . . 0.0 111.895 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 t -62.37 -36.4 82.16 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.253 0.621 . . . . 0.0 110.61 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -66.53 -51.02 61.09 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 121.282 -0.886 . . . . 0.0 109.587 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.47 -42.06 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 123.771 0.828 . . . . 0.0 109.821 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -70.09 -10.08 57.56 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.787 1.235 . . . . 0.0 111.427 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.9 t70 59.99 47.9 9.29 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 128.183 2.593 . . . . 0.0 110.768 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -131.98 -1.97 3.67 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.548 1.939 . . . . 0.0 113.128 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -61.11 135.6 57.81 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 119.5 1.045 . . . . 0.0 111.225 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -113.48 110.18 19.87 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 125.279 1.432 . . . . 0.0 107.223 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 153.58 -145.81 13.54 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 108.66 -1.776 . . . . 0.0 108.66 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -85.36 77.51 9.93 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -53.93 -32.76 54.7 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.693 -0.629 . . . . 0.0 110.085 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.69 -41.67 87.68 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.013 1.325 . . . . 0.0 110.745 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -55.93 -51.92 65.93 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.9 t -58.78 -53.48 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 O-C-N 124.643 1.214 . . . . 0.0 109.193 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -52.09 -54.35 31.34 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.497 1.119 . . . . 0.0 111.313 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -60.36 -37.46 80.78 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.903 -0.498 . . . . 0.0 111.662 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.7 m -68.48 -30.3 69.11 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 121.385 -0.822 . . . . 0.0 109.894 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.5 mt -76.38 -37.54 57.04 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-O 118.056 -0.973 . . . . 0.0 108.672 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -50.95 -51.84 48.4 Favored 'General case' 0 C--N 1.34 0.162 0 C-N-CA 124.255 1.022 . . . . 0.0 110.372 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 mmm-85 -56.95 -48.78 77.51 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 123.495 0.718 . . . . 0.0 110.82 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.42 ' CZ2' ' CE1' ' A' ' 61' ' ' TYR . 85.8 t90 -63.6 -44.08 95.02 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 119.543 -0.265 . . . . 0.0 110.834 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.9 mt -62.86 -35.39 79.84 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 120.978 -1.076 . . . . 0.0 110.625 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -62.86 -46.28 88.62 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.318 0.647 . . . . 0.0 109.892 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -31.24 70.97 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.291 0.95 . . . . 0.0 110.102 178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.42 ' CE1' ' CZ2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -72.31 -65.66 0.75 Allowed 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -179.442 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -79.21 -3.45 45.8 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 117.582 2.438 . . . . 0.0 117.582 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.413 0 CA-C-N 123.664 2.938 . . . . 0.0 113.151 -178.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.619 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -80.47 178.23 7.28 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 123.85 3.033 . . . . 0.0 111.577 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptm -157.26 160.43 38.61 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 126.046 1.738 . . . . 0.0 108.965 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -108.23 172.63 6.73 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.579 1.152 . . . . 0.0 111.36 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 7.8 mt -45.54 -48.89 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.626 1.571 . . . . 0.0 113.491 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.5 t -59.94 -38.75 83.31 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.779 0.832 . . . . 0.0 110.873 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.22 -40.86 64.37 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 121.768 -0.582 . . . . 0.0 109.982 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.09 -57.05 13.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 C-N-CA 124.989 1.316 . . . . 0.0 107.493 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -60.76 -37.77 82.96 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.645 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.34 -36.49 75.78 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-O 118.0 -1.0 . . . . 0.0 111.194 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.04 -44.27 91.78 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.125 -1.59 . . . . 0.0 109.125 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.6 mt -57.26 -34.62 68.82 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.676 -0.897 . . . . 0.0 113.184 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -50.39 -50.33 51.95 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.576 1.15 . . . . 0.0 111.268 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.94 -46.55 88.84 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.055 0.942 . . . . 0.0 110.741 -178.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.92 -41.14 82.05 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.08 0.952 . . . . 0.0 111.354 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.7 m -81.96 -26.68 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 119.794 1.179 . . . . 0.0 111.647 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -71.46 -39.94 70.62 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 124.384 1.074 . . . . 0.0 111.679 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -88.56 7.36 33.58 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 54.67 29.29 11.33 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.953 2.501 . . . . 0.0 111.758 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.5 -26.54 67.97 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.144 1.377 . . . . 0.0 110.073 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.4 t -159.88 175.53 12.97 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.009 1.724 . . . . 0.0 108.788 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.1 m -135.25 158.85 43.32 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.208 1.803 . . . . 0.0 107.054 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -52.35 -30.69 29.87 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.212 -0.93 . . . . 0.0 112.411 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -62.67 -53.58 52.4 Favored 'General case' 0 CA--C 1.522 -0.131 0 C-N-CA 124.644 1.177 . . . . 0.0 110.473 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.467 HE21 ' HG2' ' A' ' 27' ' ' GLU . 37.0 tp60 -66.46 -42.67 87.23 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.416 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.0 mt -60.91 -46.41 96.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.65 -51.75 67.52 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 124.358 1.063 . . . . 0.0 110.644 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -56.96 -38.44 72.96 Favored 'General case' 0 C--N 1.333 -0.119 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HG2' HE21 ' A' ' 23' ' ' GLN . 8.4 mm-40 -85.99 -38.01 18.37 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 p -76.19 -35.98 58.85 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.108 0.963 . . . . 0.0 110.899 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.36 -3.64 56.64 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 127.02 2.248 . . . . 0.0 110.673 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.5 mt -85.66 167.28 15.46 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 120.089 1.944 . . . . 0.0 111.074 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 t -75.96 144.92 40.72 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 59.0 p -56.84 -42.55 79.85 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.644 0.735 . . . . 0.0 110.165 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.54 -37.42 89.67 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-O 118.682 -1.066 . . . . 0.0 111.44 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.7 m -62.11 -51.64 67.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 117.695 -1.145 . . . . 0.0 108.956 179.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.2 mt -56.54 -50.09 74.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 119.705 1.139 . . . . 0.0 109.258 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 t -59.13 -41.73 88.94 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.509 -0.745 . . . . 0.0 111.595 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.68 -41.0 92.95 Favored 'General case' 0 N--CA 1.439 -0.981 0 O-C-N 120.964 -1.085 . . . . 0.0 108.853 178.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -57.94 -53.32 59.6 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.761 1.225 . . . . 0.0 109.594 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 25.2 mt -58.11 -46.94 88.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 120.098 1.317 . . . . 0.0 110.574 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.56 1.36 16.98 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 118.511 -0.757 . . . . 0.0 112.848 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.4 t70 55.46 33.08 20.23 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.085 1.754 . . . . 0.0 112.35 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -100.68 -1.45 35.16 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 126.36 1.864 . . . . 0.0 110.711 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -63.17 159.6 17.23 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 118.167 0.44 . . . . 0.0 111.35 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -60.78 -75.21 0.07 Allowed 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.489 1.116 . . . . 0.0 110.63 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.72 -177.82 47.6 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 106.893 -2.483 . . . . 0.0 106.893 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 63.91 34.48 11.61 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -55.5 -31.26 61.89 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 126.929 2.092 . . . . 0.0 109.083 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -55.07 -41.35 71.39 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.46 1.504 . . . . 0.0 111.472 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -65.7 -38.03 88.09 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.048 -1.658 . . . . 0.0 109.383 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.33 -52.87 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.1 p -59.03 -47.44 85.22 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 119.343 0.974 . . . . 0.0 110.622 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -57.23 -36.3 70.74 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.611 0.764 . . . . 0.0 110.26 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.8 m -72.82 -36.19 67.46 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.78 -34.95 77.78 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 116.379 -1.772 . . . . 0.0 110.378 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -54.0 -47.62 71.26 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 119.682 1.128 . . . . 0.0 110.134 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -57.58 -40.57 79.29 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.623 0.647 . . . . 0.0 112.432 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -73.1 -50.93 20.03 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.959 -0.463 . . . . 0.0 110.427 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -61.3 -36.07 79.07 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 124.564 1.146 . . . . 0.0 113.553 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -62.03 -48.37 80.56 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.252 0.621 . . . . 0.0 110.214 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -69.7 -30.99 68.77 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 118.379 0.536 . . . . 0.0 110.495 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.27 -59.34 3.81 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 123.305 0.642 . . . . 0.0 110.516 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -77.37 -1.07 28.18 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.217 0 CA-C-N 120.029 1.286 . . . . 0.0 107.747 179.592 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.036 0 CA-C-O 119.644 -0.531 . . . . 0.0 112.166 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -73.76 126.5 10.8 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.252 2.635 . . . . 0.0 109.909 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 ptm -73.45 146.76 44.75 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -94.69 167.95 11.13 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.392 1.077 . . . . 0.0 110.782 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 mm -47.1 -46.9 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 126.712 2.005 . . . . 0.0 111.69 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.8 p -64.06 -30.86 71.9 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -79.23 -39.92 31.94 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.27 -54.43 32.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 C-N-CA 125.616 1.566 . . . . 0.0 108.133 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -60.14 -39.36 86.05 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.267 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.68 -37.21 83.24 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.382 1.073 . . . . 0.0 112.261 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.98 -44.67 97.9 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.427 HD11 HD13 ' A' ' 54' ' ' LEU . 47.8 mt -61.0 -34.27 74.54 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 122.108 -0.643 . . . . 0.0 112.02 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -48.05 81.35 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 118.092 -0.956 . . . . 0.0 108.813 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 m -54.1 -43.39 70.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.485 0.584 . . . . 0.0 111.915 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.94 -54.36 46.98 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.57 0.748 . . . . 0.0 110.285 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.79 -34.53 61.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.345 -0.847 . . . . 0.0 111.939 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.84 -26.56 68.2 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.323 1.449 . . . . 0.0 111.401 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -105.35 8.35 33.69 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.296 1.438 . . . . 0.0 110.934 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 59.47 19.95 8.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.8 2.04 . . . . 0.0 112.749 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -55.9 -42.69 76.4 Favored 'General case' 0 CA--C 1.518 -0.266 0 C-N-CA 127.752 2.421 . . . . 0.0 113.939 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 t -154.47 143.55 21.11 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 p -79.39 157.63 27.56 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.422 0.63 . . . . 0.0 110.782 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -54.83 -30.91 58.57 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.963 0.905 . . . . 0.0 110.255 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -72.09 -48.85 40.98 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 126.664 1.986 . . . . 0.0 109.713 178.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -57.84 -44.83 86.78 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 83.0 mt -56.71 -43.33 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.74 -48.24 77.84 Favored 'General case' 0 C--N 1.339 0.112 0 O-C-N 121.323 -0.861 . . . . 0.0 112.141 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -47.16 86.88 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.372 0.606 . . . . 0.0 109.968 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HB2' ' HE1' ' A' ' 57' ' ' TRP . 17.8 mt-10 -70.54 -42.64 70.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.5 p -76.2 -22.48 55.23 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 119.533 1.06 . . . . 0.0 111.713 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.33 -0.74 89.27 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.288 1.423 . . . . 0.0 111.349 -178.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.2 mt -86.75 165.56 15.95 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.7 p -81.63 163.12 22.78 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 119.45 -0.9 . . . . 0.0 108.627 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.53 -46.61 89.53 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 177.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.69 -44.64 69.34 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-O 118.756 -1.025 . . . . 0.0 111.021 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.2 m -53.36 -55.54 24.03 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.231 0.613 . . . . 0.0 111.557 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.4 mt -53.94 -55.22 15.06 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 C-N-CA 124.336 1.054 . . . . 0.0 111.159 -178.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 p -61.72 -41.71 97.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 t -67.35 -37.62 83.53 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -65.52 -47.47 75.85 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.703 1.201 . . . . 0.0 109.11 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.1 mt -63.89 -37.89 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 118.648 0.658 . . . . 0.0 109.949 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -83.72 4.63 27.94 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.879 0.872 . . . . 0.0 111.204 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 61.82 3.05 0.82 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 129.044 2.938 . . . . 0.0 113.01 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -73.08 -15.26 61.5 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 126.299 1.839 . . . . 0.0 112.821 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -65.96 91.07 0.14 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 119.95 1.25 . . . . 0.0 112.204 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -87.39 70.29 9.94 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 105.365 -2.087 . . . . 0.0 105.365 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.12 -154.51 6.75 Favored Glycine 0 CA--C 1.519 0.322 0 N-CA-C 108.902 -1.679 . . . . 0.0 108.902 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -73.18 66.57 0.88 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.046 1.738 . . . . 0.0 109.863 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -50.68 -42.46 56.84 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.383 1.873 . . . . 0.0 112.45 -179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -69.28 -35.56 76.17 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 118.772 0.714 . . . . 0.0 112.2 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -68.28 -41.41 81.05 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 120.451 -1.405 . . . . 0.0 108.035 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.52 -50.64 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.8 p -55.82 -51.39 67.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.108 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -56.71 -39.82 74.55 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 118.956 0.798 . . . . 0.0 111.225 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.9 m -68.01 -30.73 70.05 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.258 0.481 . . . . 0.0 109.915 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.427 HD13 HD11 ' A' ' 10' ' ' LEU . 85.8 mt -77.1 -32.62 56.74 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.272 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -59.06 -55.15 38.76 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 119.067 0.849 . . . . 0.0 109.396 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -58.37 -41.3 84.44 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.721 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.484 ' HE1' ' HB2' ' A' ' 27' ' ' GLU . 89.4 t90 -61.31 -50.4 73.13 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 119.383 -0.341 . . . . 0.0 110.089 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.44 -37.13 85.98 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.757 0.708 . . . . 0.0 111.453 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.55 -36.0 81.6 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.992 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -31.36 69.18 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 121.422 1.919 . . . . 0.0 109.128 178.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.55 -65.85 0.63 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 125.326 1.45 . . . . 0.0 108.65 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -70.08 -23.24 63.03 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.203 0 C-N-CA 126.204 1.802 . . . . 0.0 110.013 -178.484 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.783 0 CA-C-O 118.078 -1.401 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -59.68 159.96 22.63 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.992 2.461 . . . . 0.0 111.419 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptm -156.85 156.52 33.32 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.805 1.242 . . . . 0.0 109.488 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -97.83 178.84 5.0 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.758 -0.589 . . . . 0.0 110.993 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.5 mt -55.39 -44.47 75.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 O-C-N 121.108 -0.995 . . . . 0.0 112.764 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 t -62.73 -29.03 70.37 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.376 0.535 . . . . 0.0 110.12 179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -77.4 -31.22 53.98 Favored 'General case' 0 N--CA 1.458 -0.071 0 O-C-N 120.72 -1.237 . . . . 0.0 111.225 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.8 mt -64.51 -57.39 11.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.0 ptt-85 -58.18 -33.26 69.06 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 118.925 -0.559 . . . . 0.0 112.199 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.99 -26.34 64.41 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 118.776 -0.631 . . . . 0.0 112.518 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.56 -50.15 4.11 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.2 mt -53.39 -37.27 62.3 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -60.26 -43.64 95.97 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 118.365 0.529 . . . . 0.0 109.671 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.6 m -61.52 -44.72 96.56 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.515 1.126 . . . . 0.0 109.111 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.53 -41.6 81.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.586 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -81.56 -33.32 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-N 119.802 1.183 . . . . 0.0 111.643 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -63.25 -26.4 68.77 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 123.663 0.785 . . . . 0.0 111.693 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -105.57 11.44 32.39 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.273 1.029 . . . . 0.0 109.491 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 50.58 31.49 5.74 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 127.962 2.505 . . . . 0.0 113.079 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.72 -31.23 72.37 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.364 1.466 . . . . 0.0 111.284 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.3 t -160.26 165.3 31.68 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.7 p -104.68 165.34 11.13 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.934 0.873 . . . . 0.0 111.856 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -57.46 -42.36 82.41 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.54 -45.62 89.73 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 117.735 -1.126 . . . . 0.0 110.749 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -62.87 -48.72 77.81 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 117.835 -1.078 . . . . 0.0 109.91 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.8 mt -55.66 -44.8 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 120.063 1.301 . . . . 0.0 108.609 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.99 93.19 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.616 0.766 . . . . 0.0 112.324 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 36.6 tp -64.95 -49.01 72.01 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 123.93 0.892 . . . . 0.0 109.29 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.75 -48.01 83.73 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.02 1.328 . . . . 0.0 110.33 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.4 p -79.51 -12.01 59.88 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.526 0.73 . . . . 0.0 112.855 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.39 12.74 73.32 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.37 0.986 . . . . 0.0 111.228 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.7 mt -87.7 166.51 14.61 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.118 1.459 . . . . 0.0 108.832 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.8 132.75 34.38 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 105.655 -1.98 . . . . 0.0 105.655 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.4 p -50.75 -30.12 13.2 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 121.856 2.117 . . . . 0.0 115.909 -176.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.42 -19.03 77.37 Favored Glycine 0 CA--C 1.539 1.545 0 CA-C-N 122.177 2.262 . . . . 0.0 112.708 178.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.1 m -67.81 -56.54 8.79 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.261 1.53 . . . . 0.0 114.351 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.7 mt -52.98 -57.17 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 C-N-CA 129.451 3.101 . . . . 0.0 108.968 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p -56.41 -43.38 79.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.545 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -66.91 -42.2 85.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 118.483 0.583 . . . . 0.0 110.808 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -60.21 -50.25 74.41 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.781 1.632 . . . . 0.0 108.623 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.2 mt -62.94 -41.16 91.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.808 0.843 . . . . 0.0 109.733 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -79.02 5.48 11.66 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.129 0.972 . . . . 0.0 113.514 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 61.64 31.25 18.72 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.357 1.863 . . . . 0.0 111.735 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -119.08 -2.72 10.72 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 117.316 -1.326 . . . . 0.0 113.079 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -72.38 104.44 3.76 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 120.444 1.475 . . . . 0.0 107.457 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -92.22 90.37 7.27 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 104.192 -2.521 . . . . 0.0 104.192 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -179.59 -159.48 23.62 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -70.94 68.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 128.379 2.672 . . . . 0.0 111.761 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -57.26 -32.07 66.2 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 121.406 -0.809 . . . . 0.0 109.437 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -62.83 -34.38 77.2 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.396 1.478 . . . . 0.0 111.262 178.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -74.99 -51.28 14.03 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 120.529 -1.357 . . . . 0.0 108.39 179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -58.13 -46.62 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 125.714 1.606 . . . . 0.0 111.922 -179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.2 p -52.72 -51.35 60.81 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.052 0.941 . . . . 0.0 110.138 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -61.07 -39.2 89.0 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 118.539 -0.743 . . . . 0.0 112.608 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.7 m -65.59 -41.82 92.37 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.18 -39.35 92.77 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 118.579 -0.724 . . . . 0.0 110.226 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.88 -51.57 68.55 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 123.823 0.849 . . . . 0.0 110.95 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -61.73 -34.97 76.75 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 118.444 -0.788 . . . . 0.0 112.847 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -67.45 -52.79 35.26 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 124.439 1.087 . . . . 0.0 108.112 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.47 -46.83 80.22 Favored 'General case' 0 C--O 1.23 0.071 0 C-N-CA 125.336 1.454 . . . . 0.0 113.874 -178.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -59.3 -49.34 78.22 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.269 0.08 . . . . 0.0 110.889 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -31.89 73.21 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 118.646 -0.692 . . . . 0.0 110.005 178.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -62.18 1.82 Allowed 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 124.686 1.195 . . . . 0.0 110.905 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -75.8 4.94 7.01 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 178.923 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.584 0 N-CA-C 110.516 -1.033 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -73.93 86.23 1.27 Allowed 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 123.968 3.112 . . . . 0.0 109.99 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.1 mtp -44.48 122.12 2.93 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 127.081 2.152 . . . . 0.0 110.247 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -64.61 167.1 7.65 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 mp -43.41 -44.9 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.589 1.955 . . . . 0.0 109.816 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.88 -51.54 63.36 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 128.143 2.577 . . . . 0.0 113.867 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -74.7 -35.29 62.72 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.26 0.624 . . . . 0.0 110.35 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.36 -59.33 4.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.093 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.441 ' HB2' ' HA ' ' A' ' 39' ' ' ILE . 25.4 ptt85 -57.46 -37.48 72.94 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 117.892 -1.051 . . . . 0.0 113.267 -178.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.99 -46.11 82.47 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 123.628 0.58 . . . . 0.0 111.733 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.72 -42.43 99.39 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.9 mt -59.27 -34.1 71.85 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.577 0.751 . . . . 0.0 112.131 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -61.89 -48.48 80.29 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 m -62.91 -37.45 87.04 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.315 1.046 . . . . 0.0 110.719 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.47 -47.87 80.01 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.78 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 m -69.64 -31.97 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 118.557 -1.257 . . . . 0.0 110.053 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.66 -33.3 73.73 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.298 0.639 . . . . 0.0 109.895 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -95.78 3.16 54.02 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.104 1.362 . . . . 0.0 110.633 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 62.31 12.57 5.31 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.825 2.05 . . . . 0.0 112.811 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.15 -25.58 61.63 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 126.048 1.739 . . . . 0.0 109.777 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -150.15 171.12 17.42 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.788 1.635 . . . . 0.0 107.229 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.03 156.53 47.72 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 127.178 2.191 . . . . 0.0 105.374 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -52.9 -37.14 60.34 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.729 0.695 . . . . 0.0 111.199 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -71.5 -44.86 63.91 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.87 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -60.24 -45.71 92.31 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 124.222 1.009 . . . . 0.0 110.85 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.36 -51.78 65.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.68 -33.65 74.36 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.928 1.291 . . . . 0.0 113.115 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.2 tp -69.86 -48.83 57.33 Favored 'General case' 0 CA--C 1.522 -0.126 0 C-N-CA 124.057 0.943 . . . . 0.0 110.424 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' HB2' ' HE1' ' A' ' 57' ' ' TRP . 36.8 mm-40 -74.16 -43.66 56.53 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.264 0.626 . . . . 0.0 110.759 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.0 p -73.63 -21.45 60.3 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.69 1.132 . . . . 0.0 113.361 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.04 -6.68 78.29 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 123.985 0.802 . . . . 0.0 112.739 -178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.4 mt -75.64 170.26 16.51 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.422 1.489 . . . . 0.0 110.729 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.9 t -80.01 150.38 30.43 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -60.71 -45.37 94.47 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 118.943 0.792 . . . . 0.0 109.573 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.91 -42.48 70.01 Favored Glycine 0 CA--C 1.527 0.811 0 CA-C-O 118.45 -1.194 . . . . 0.0 112.084 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.1 m -53.23 -57.34 10.84 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.522 1.161 . . . . 0.0 111.431 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.5 mt -53.93 -54.42 20.31 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 123.968 0.907 . . . . 0.0 111.198 -178.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 p -58.99 -40.37 84.64 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 118.352 0.523 . . . . 0.0 112.27 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -66.2 -48.97 68.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -59.43 -46.82 87.64 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.058 1.743 . . . . 0.0 110.593 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.441 ' HA ' ' HB2' ' A' ' 7' ' ' ARG . 68.1 mt -55.99 -34.62 38.55 Favored 'Isoleucine or valine' 0 C--N 1.339 0.115 0 O-C-N 121.778 -0.577 . . . . 0.0 111.769 -179.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -98.83 7.45 46.03 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 118.556 -0.735 . . . . 0.0 112.834 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.8 t70 57.94 41.6 24.23 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.982 1.372 . . . . 0.0 108.906 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -112.3 -5.84 14.12 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.414 1.885 . . . . 0.0 112.113 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -76.16 171.26 14.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.857 1.263 . . . . 0.0 110.825 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -72.46 -169.98 0.6 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 128.663 2.785 . . . . 0.0 108.622 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.17 -169.33 41.63 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 107.413 -2.275 . . . . 0.0 107.413 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.7 t0 67.33 28.65 7.84 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.151 1.38 . . . . 0.0 109.004 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -53.05 -31.36 41.12 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 126.647 1.979 . . . . 0.0 108.893 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -53.72 -50.66 65.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.139 2.576 . . . . 0.0 111.074 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.1 ttt180 -59.69 -47.89 83.85 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 124.575 1.15 . . . . 0.0 109.224 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.6 t -64.29 -53.51 42.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 123.576 0.75 . . . . 0.0 109.881 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 p -55.0 -48.41 73.35 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.483 1.113 . . . . 0.0 111.226 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -61.74 -33.39 73.96 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.699 1.136 . . . . 0.0 111.312 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.2 m -68.56 -41.96 79.02 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 178.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.2 mt -69.56 -34.11 73.72 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.854 0.862 . . . . 0.0 109.986 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -55.97 26.93 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.87 1.668 . . . . 0.0 107.984 178.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -55.25 -46.04 76.05 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 123.429 0.692 . . . . 0.0 109.379 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.433 ' HE1' ' HB2' ' A' ' 27' ' ' GLU . 89.5 t90 -61.41 -42.07 98.14 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 119.158 -0.448 . . . . 0.0 110.996 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.03 -39.28 90.08 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.613 1.097 . . . . 0.0 110.335 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -61.02 -39.54 90.12 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -73.94 -31.46 63.06 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 119.559 1.072 . . . . 0.0 110.223 178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -59.47 3.31 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 118.623 0.647 . . . . 0.0 109.438 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -69.38 -18.53 63.78 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.157 0 CA-C-N 121.126 1.784 . . . . 0.0 111.808 -178.599 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.4 0 N-CA-C 109.003 -1.639 . . . . 0.0 109.003 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -64.44 179.84 1.12 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.679 2.919 . . . . 0.0 111.901 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 mtm -124.81 166.27 16.53 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 122.09 0.948 . . . . 0.0 112.255 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -95.7 162.35 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 126.763 2.025 . . . . 0.0 108.172 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.1 mm -54.83 -42.43 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.0 t -52.08 -45.56 64.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 126.884 2.074 . . . . 0.0 111.507 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -71.93 -42.9 66.1 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 123.551 0.74 . . . . 0.0 111.321 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.19 -54.6 32.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -61.76 -35.37 77.92 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.52 -0.737 . . . . 0.0 110.814 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.33 -15.9 63.63 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 118.67 0.668 . . . . 0.0 111.33 178.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.72 -59.1 2.04 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 107.857 -2.097 . . . . 0.0 107.857 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.6 mt -55.25 -36.53 66.15 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.13 0.972 . . . . 0.0 113.228 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -61.01 -42.45 98.47 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.016 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.7 m -58.73 -44.01 90.36 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 118.889 0.768 . . . . 0.0 109.348 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.17 -49.92 72.62 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 123.826 0.704 . . . . 0.0 110.395 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -75.05 -32.43 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.283 -0.885 . . . . 0.0 112.862 -179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.82 -30.89 69.54 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 124.749 1.22 . . . . 0.0 111.36 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -97.2 6.42 48.46 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.34 1.056 . . . . 0.0 109.89 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 55.5 31.97 18.09 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.282 1.833 . . . . 0.0 111.857 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -66.76 -30.69 70.97 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 125.638 1.575 . . . . 0.0 108.81 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 t -163.22 -177.72 5.54 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.276 1.83 . . . . 0.0 109.345 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.2 p -121.61 162.8 20.01 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.603 1.161 . . . . 0.0 111.314 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -60.26 -35.12 74.78 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.862 0.865 . . . . 0.0 109.331 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -46.99 86.16 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 108.247 -1.019 . . . . 0.0 108.247 178.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -64.47 -48.76 74.02 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.084 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.0 mt -55.49 -45.63 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.73 -48.57 78.65 Favored 'General case' 0 C--O 1.224 -0.249 0 O-C-N 121.397 -0.815 . . . . 0.0 111.91 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.55 -39.62 88.59 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.684 0.794 . . . . 0.0 112.809 -178.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -79.96 -46.88 15.9 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.244 1.018 . . . . 0.0 110.728 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.9 p -70.97 -26.41 63.14 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 120.8 -1.188 . . . . 0.0 111.67 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.1 4.89 86.36 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 125.476 1.512 . . . . 0.0 110.591 -178.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.2 mt -86.02 166.17 16.09 Favored 'General case' 0 C--N 1.338 0.1 0 CA-C-N 119.382 1.591 . . . . 0.0 109.351 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 t -73.32 141.57 47.12 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 108.401 -0.962 . . . . 0.0 108.401 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -32.54 69.45 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 125.009 1.324 . . . . 0.0 112.935 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.62 -38.75 19.73 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 109.9 -1.28 . . . . 0.0 109.9 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.495 HG23 ' CE1' ' A' ' 43' ' ' TYR . 24.2 m -56.79 -45.84 81.91 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 125.183 1.393 . . . . 0.0 112.055 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.8 mt -58.35 -46.34 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.11 -44.29 87.62 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 121.918 -0.489 . . . . 0.0 112.073 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -47.14 85.09 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 179.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -56.65 -47.41 79.82 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.53 1.132 . . . . 0.0 110.359 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.89 -33.19 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 O-C-N 121.732 -0.605 . . . . 0.0 110.206 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -84.22 1.98 42.01 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.217 0.917 . . . . 0.0 110.811 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 t70 70.9 10.19 6.93 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 128.341 2.656 . . . . 0.0 111.611 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -87.13 7.27 28.77 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 126.145 1.778 . . . . 0.0 114.069 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.495 ' CE1' HG23 ' A' ' 34' ' ' THR . 24.4 t80 -85.99 155.06 21.03 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.322 1.419 . . . . 0.0 107.189 178.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -149.97 152.43 34.94 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 125.119 1.367 . . . . 0.0 109.417 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.12 -49.81 4.16 Favored Glycine 0 C--N 1.331 0.287 0 N-CA-C 118.153 2.021 . . . . 0.0 118.153 177.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.69 21.62 12.42 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.56 1.18 . . . . 0.0 112.599 -177.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -49.3 -47.41 46.98 Favored 'General case' 0 CA--C 1.517 -0.298 0 C-N-CA 126.284 1.833 . . . . 0.0 112.067 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.1 -45.19 86.2 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 118.728 0.695 . . . . 0.0 110.573 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -61.66 -43.17 99.36 Favored 'General case' 0 CA--C 1.528 0.127 0 O-C-N 120.779 -1.201 . . . . 0.0 109.868 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.12 -51.2 75.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.9 p -57.11 -49.91 74.43 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 123.655 0.782 . . . . 0.0 110.317 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -57.38 -35.4 69.94 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 124.793 1.237 . . . . 0.0 111.584 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.6 m -75.62 -35.64 60.46 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.477 -0.764 . . . . 0.0 109.235 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.6 mt -71.18 -36.17 71.88 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 123.809 0.844 . . . . 0.0 109.781 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -50.37 73.42 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 125.024 1.329 . . . . 0.0 110.023 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -61.02 -43.18 99.27 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 123.029 0.532 . . . . 0.0 110.402 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -61.42 -49.51 76.58 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.41 -35.67 74.4 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.588 0.631 . . . . 0.0 111.833 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -67.33 -40.86 85.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 118.743 0.701 . . . . 0.0 109.27 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -31.68 64.07 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.606 0.639 . . . . 0.0 110.093 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.77 -44.57 69.88 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.444 0.697 . . . . 0.0 109.668 179.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -70.87 -5.06 27.69 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 118.65 -0.69 . . . . 0.0 111.698 177.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.912 0 CA-C-O 116.255 -1.831 . . . . 0.0 110.739 -179.709 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.754 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -67.63 150.16 79.56 Favored 'Trans proline' 0 CA--C 1.537 0.654 0 C-N-CA 122.098 1.865 . . . . 0.0 109.443 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp -143.07 125.36 15.53 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 127.16 2.184 . . . . 0.0 107.462 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -66.04 162.3 19.76 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.426 HG22 HH11 ' A' ' 7' ' ' ARG . 8.3 mt -47.65 -42.5 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 125.916 1.686 . . . . 0.0 110.857 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.6 t -61.29 -38.02 85.28 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 117.658 -1.163 . . . . 0.0 112.611 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.79 -39.76 69.69 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 119.506 1.048 . . . . 0.0 109.625 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.7 mt -60.41 -53.71 45.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.426 HH11 HG22 ' A' ' 3' ' ' ILE . 32.5 ptt-85 -64.78 -34.5 78.49 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 117.608 -1.187 . . . . 0.0 111.589 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.96 -43.39 77.49 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 119.44 1.018 . . . . 0.0 112.39 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.93 -37.57 94.44 Favored Glycine 0 CA--C 1.523 0.581 0 CA-C-N 117.997 0.362 . . . . 0.0 112.478 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.3 -38.47 80.29 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 121.692 -0.887 . . . . 0.0 110.49 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -55.74 -48.49 75.13 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -57.15 -44.53 83.51 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.376 1.07 . . . . 0.0 110.557 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.01 -47.11 86.41 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.343 0.657 . . . . 0.0 110.451 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.1 m -73.9 -30.75 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-N 119.374 0.988 . . . . 0.0 112.26 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -60.37 -39.54 87.58 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 123.819 0.848 . . . . 0.0 109.975 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -92.01 9.72 32.04 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.136 1.374 . . . . 0.0 111.582 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 57.66 15.06 2.68 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.643 2.377 . . . . 0.0 114.595 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -50.21 -35.82 28.14 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 127.986 2.514 . . . . 0.0 112.195 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -163.59 166.53 22.34 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.173 0.989 . . . . 0.0 108.592 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -115.42 159.22 21.41 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -52.15 -36.94 52.93 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -64.39 -42.59 96.06 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 118.919 0.782 . . . . 0.0 110.799 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -65.17 -43.97 90.0 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 54.6 mt -59.23 -46.02 92.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.71 -45.88 88.57 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 124.196 0.999 . . . . 0.0 110.886 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.0 tp -57.81 -48.73 78.88 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.648 0.779 . . . . 0.0 111.399 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -78.24 -39.0 41.63 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 80.5 p -74.07 -28.06 61.21 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 121.639 -0.663 . . . . 0.0 110.586 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.73 -4.76 76.14 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 126.31 1.909 . . . . 0.0 110.199 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 82.6 mt -76.99 174.17 10.94 Favored 'General case' 0 C--O 1.231 0.092 0 C-N-CA 124.869 1.268 . . . . 0.0 108.955 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.7 t -90.5 149.13 22.32 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -55.91 -46.04 78.5 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.59 -48.38 84.88 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-O 118.226 -1.319 . . . . 0.0 111.451 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.3 m -54.09 -47.8 71.37 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 124.47 1.108 . . . . 0.0 110.676 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.1 mt -60.1 -49.19 85.02 Favored 'Isoleucine or valine' 0 C--O 1.23 0.07 0 CA-C-N 118.85 0.75 . . . . 0.0 109.444 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -61.0 -40.41 93.42 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.254 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -41.18 92.21 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 120.11 1.323 . . . . 0.0 108.759 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.78 -50.85 71.87 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.156 1.382 . . . . 0.0 110.234 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.1 mt -65.97 -44.05 92.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.096 0.558 . . . . 0.0 110.138 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -77.02 6.76 5.79 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.15 0.98 . . . . 0.0 112.331 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 61.05 16.96 7.53 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 128.11 2.564 . . . . 0.0 114.742 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -83.66 -23.3 31.83 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 120.586 -1.321 . . . . 0.0 109.196 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -72.03 129.94 39.74 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -139.32 155.24 47.84 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 126.641 1.976 . . . . 0.0 106.378 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 81.32 98.98 0.39 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.671 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 69.15 38.16 1.98 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.408 1.483 . . . . 0.0 110.635 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -57.34 -35.47 69.95 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.056 1.342 . . . . 0.0 110.609 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -60.76 -36.6 79.36 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.604 0.762 . . . . 0.0 110.412 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -64.35 -43.37 94.8 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 120.405 -1.435 . . . . 0.0 108.521 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -62.83 -46.61 95.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.6 p -58.4 -50.64 72.98 Favored 'General case' 0 C--N 1.34 0.186 0 CA-C-N 119.059 0.845 . . . . 0.0 109.558 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -55.76 -36.46 67.33 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 124.766 1.227 . . . . 0.0 111.554 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.1 m -70.33 -38.01 74.81 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.48 -35.15 73.1 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.121 -0.942 . . . . 0.0 109.937 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -57.24 -53.15 61.32 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.692 0.797 . . . . 0.0 110.29 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -58.58 -35.12 71.89 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 59.6 t90 -70.43 -54.49 12.15 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.49 -36.26 68.92 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.012 1.325 . . . . 0.0 112.489 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -59.32 -40.5 86.47 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 123.671 0.788 . . . . 0.0 110.751 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -82.91 -32.09 27.46 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.071 0.396 . . . . 0.0 110.311 178.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -52.15 65.09 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -77.52 9.51 3.27 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 CA-C-N 119.808 1.185 . . . . 0.0 110.673 179.498 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.06 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -65.97 94.02 0.28 Allowed 'Trans proline' 0 CA--C 1.533 0.459 0 C-N-CA 124.122 3.215 . . . . 0.0 111.998 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mtp -55.59 134.05 50.78 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 124.773 1.229 . . . . 0.0 110.288 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -69.59 165.19 21.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.541 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 15.9 mt -54.21 -36.29 32.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 O-C-N 121.077 -1.014 . . . . 0.0 110.239 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 t -68.44 -47.8 66.22 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.551 1.54 . . . . 0.0 109.639 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.07 -42.99 99.52 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.14 0.976 . . . . 0.0 110.659 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.3 mt -56.8 -59.55 2.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 C-N-CA 124.815 1.246 . . . . 0.0 108.964 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -59.17 -36.7 75.77 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.958 0.799 . . . . 0.0 111.235 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.35 -18.54 65.42 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 118.206 -0.902 . . . . 0.0 113.297 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.76 -42.35 4.47 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 119.149 0.886 . . . . 0.0 110.95 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 61.2 mt -58.84 -37.86 77.42 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.17 0.985 . . . . 0.0 111.086 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -56.2 -43.1 78.18 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.066 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 m -56.75 -42.66 79.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 119.036 0.834 . . . . 0.0 111.403 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.97 -47.54 77.25 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.201 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.8 m -69.97 -38.03 74.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 118.777 -1.169 . . . . 0.0 111.932 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -61.01 -27.48 68.35 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.868 1.667 . . . . 0.0 112.031 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -100.53 7.1 44.3 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.073 1.349 . . . . 0.0 110.615 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 56.85 13.79 1.6 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 127.575 2.35 . . . . 0.0 113.511 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.48 -38.92 14.74 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 127.912 2.485 . . . . 0.0 111.942 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.7 t -160.96 143.74 12.75 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.41 157.44 23.68 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.882 0.372 . . . . 0.0 111.911 -178.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.49 ' HA ' HD12 ' A' ' 24' ' ' ILE . 25.4 m-85 -53.12 -35.43 59.67 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.65 1.18 . . . . 0.0 111.874 178.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -66.1 -36.99 84.63 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.01 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -68.92 -42.39 76.85 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 21' ' ' PHE . 42.5 mt -56.49 -49.91 75.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 178.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.22 -39.81 87.97 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 123.594 0.758 . . . . 0.0 111.463 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.61 -47.28 82.06 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -76.97 -32.11 57.03 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.1 p -81.08 -22.72 38.97 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 121.827 -0.546 . . . . 0.0 110.71 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.59 -6.11 70.85 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.878 1.228 . . . . 0.0 111.44 -178.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.8 mt -75.38 172.14 12.99 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 118.786 1.293 . . . . 0.0 108.362 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.9 m -88.65 157.12 18.66 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 177.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.9 p -59.98 -42.86 95.11 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 121.203 -0.935 . . . . 0.0 110.994 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.51 -26.51 66.59 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 125.02 1.295 . . . . 0.0 112.582 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.4 m -70.25 -55.43 9.28 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 119.236 1.518 . . . . 0.0 110.413 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.2 mt -54.2 -49.78 60.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 C-N-CA 124.212 1.005 . . . . 0.0 110.502 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.5 p -61.98 -44.39 96.83 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.2 p -67.16 -38.09 84.88 Favored 'General case' 0 N--CA 1.414 -2.233 0 O-C-N 121.809 -0.557 . . . . 0.0 109.922 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -61.14 -52.42 64.95 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.951 0.9 . . . . 0.0 108.889 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.0 mt -55.32 -32.74 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.865 0.866 . . . . 0.0 112.082 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -102.55 20.53 16.94 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 61.41 6.23 1.38 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.644 1.978 . . . . 0.0 112.776 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -74.18 -29.33 61.71 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 120.411 -1.431 . . . . 0.0 111.629 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -70.16 141.36 52.63 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -153.13 75.58 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 105.023 -2.214 . . . . 0.0 105.023 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.4 60.4 0.19 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 76.87 58.4 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 126.94 2.096 . . . . 0.0 108.609 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -58.11 -31.9 67.58 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.36 -41.51 97.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.811 2.045 . . . . 0.0 110.83 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -48.03 54.61 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 69.9 t -55.23 -47.51 77.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 123.755 0.822 . . . . 0.0 109.223 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 p -58.15 -42.16 85.33 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.444 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -64.17 -32.49 74.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 120.011 1.278 . . . . 0.0 111.171 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.1 m -72.9 -40.61 65.4 Favored 'General case' 0 CA--C 1.543 0.673 0 O-C-N 121.08 -1.013 . . . . 0.0 108.658 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.12 -38.59 88.56 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.198 0.999 . . . . 0.0 110.076 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.12 -52.24 52.84 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 126.682 1.993 . . . . 0.0 111.52 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -61.7 -43.62 98.5 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.129 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -61.56 -44.5 96.92 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 119.158 -0.449 . . . . 0.0 110.977 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.71 -39.93 80.22 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 118.752 0.705 . . . . 0.0 111.046 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -58.09 -44.34 87.56 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 118.268 -0.873 . . . . 0.0 109.984 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -70.17 -31.7 69.29 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.307 0.958 . . . . 0.0 110.93 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.59 -50.95 47.64 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -82.18 -14.07 56.18 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 117.415 2.376 . . . . 0.0 117.415 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.199 0 CA-C-N 122.568 2.44 . . . . 0.0 112.374 -179.113 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.567 0 N-CA-C 108.582 -1.807 . . . . 0.0 108.582 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -64.64 168.29 13.55 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 121.899 1.733 . . . . 0.0 111.898 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptm -137.85 133.83 34.4 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 126.022 1.729 . . . . 0.0 108.817 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -72.39 161.89 30.22 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.76 1.224 . . . . 0.0 110.28 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.413 ' HA ' HD12 ' A' ' 6' ' ' ILE . 25.1 mt -49.1 -45.57 17.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 C-N-CA 126.845 2.058 . . . . 0.0 111.172 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.5 t -58.29 -32.58 68.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.026 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -81.55 -35.48 30.22 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.394 0.997 . . . . 0.0 111.371 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 3' ' ' ILE . 97.7 mt -53.98 -55.04 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.964 1.306 . . . . 0.0 108.621 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -58.95 -32.79 69.93 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-O 117.869 -1.063 . . . . 0.0 113.453 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.97 95.54 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 119.707 1.14 . . . . 0.0 110.641 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.62 -45.4 95.7 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.42 -37.09 77.16 Favored 'General case' 0 CA--C 1.517 -0.292 0 O-C-N 121.896 -0.767 . . . . 0.0 111.701 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -64.7 -46.92 80.31 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.0 m -56.31 -41.83 76.62 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.167 0.587 . . . . 0.0 110.149 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB3' HG22 ' A' ' 19' ' ' THR . 87.3 mt -63.46 -52.39 61.6 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 119.059 -0.496 . . . . 0.0 110.891 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.67 -32.86 59.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 119.293 0.951 . . . . 0.0 111.865 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.03 -28.2 68.68 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.968 1.307 . . . . 0.0 111.974 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -103.35 15.88 27.97 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.763 1.225 . . . . 0.0 110.108 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 56.38 18.57 3.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.755 1.622 . . . . 0.0 112.569 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -64.29 -39.79 94.63 Favored 'General case' 0 C--N 1.335 -0.054 0 C-N-CA 125.862 1.665 . . . . 0.0 110.114 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.4 HG22 ' HB3' ' A' ' 13' ' ' LEU . 1.6 t -143.44 179.15 7.28 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.934 1.294 . . . . 0.0 108.904 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.5 m -139.53 152.5 46.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.691 1.596 . . . . 0.0 107.097 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -52.98 -41.45 64.6 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 123.641 0.776 . . . . 0.0 111.068 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.17 -44.03 87.76 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-O 118.206 -0.902 . . . . 0.0 109.274 178.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.6 tp60 -67.79 -51.52 47.86 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 117.736 -1.126 . . . . 0.0 110.611 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.9 mt -52.17 -47.87 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 119.922 1.237 . . . . 0.0 108.196 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.47 88.31 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 123.862 0.865 . . . . 0.0 112.423 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.17 -56.53 20.94 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 123.055 0.542 . . . . 0.0 109.966 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -60.17 -43.99 95.38 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.417 1.487 . . . . 0.0 112.51 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.0 p -79.48 -19.89 48.66 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.892 0.769 . . . . 0.0 112.863 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.04 -1.6 88.4 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.837 1.208 . . . . 0.0 110.226 -177.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 79.5 mt -82.57 167.18 18.59 Favored 'General case' 0 C--N 1.339 0.112 0 CA-C-N 119.064 1.432 . . . . 0.0 110.139 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.7 t -78.93 147.13 33.14 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.5 p -60.44 -47.28 86.79 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.71 -33.94 60.2 Favored Glycine 0 C--N 1.341 0.828 0 C-N-CA 124.233 0.921 . . . . 0.0 112.224 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.7 m -66.35 -55.77 14.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -54.88 -51.04 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 C-N-CA 124.138 0.975 . . . . 0.0 111.487 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 p -61.11 -38.18 85.39 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 t -73.63 -39.59 64.41 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -56.79 -50.03 73.55 Favored 'General case' 0 CA--C 1.527 0.073 0 C-N-CA 126.813 2.045 . . . . 0.0 109.157 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.9 mt -58.09 -41.96 81.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 123.204 0.602 . . . . 0.0 110.293 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -79.69 0.12 31.72 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.733 0.813 . . . . 0.0 112.991 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . 0.257 1.8 t70 56.16 45.21 23.79 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 127.711 2.404 . . . . 0.0 109.367 -177.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -116.04 -10.41 11.57 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 126.161 1.784 . . . . 0.0 109.767 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -80.68 120.7 24.94 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 100.268 -3.975 . . . . 0.0 100.268 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -124.7 104.93 8.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.04 -123.18 1.15 Allowed Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -78.31 62.9 3.09 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.137 0.975 . . . . 0.0 109.362 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -66.45 -32.92 74.59 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.522 1.529 . . . . 0.0 111.746 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.98 -47.86 81.32 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.59 0.756 . . . . 0.0 110.397 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -55.51 -41.83 73.63 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 121.638 -0.663 . . . . 0.0 109.414 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.9 t -66.06 -52.48 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-O 118.081 -0.961 . . . . 0.0 108.914 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.6 p -56.3 -54.08 49.61 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-N 119.742 1.155 . . . . 0.0 111.512 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -56.71 -40.53 75.83 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.696 0.798 . . . . 0.0 110.555 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.5 m -68.02 -38.94 83.15 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.402 -0.811 . . . . 0.0 109.887 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.2 mt -71.99 -25.62 61.91 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 117.684 -1.151 . . . . 0.0 111.078 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -66.76 -53.29 34.7 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 120.011 1.278 . . . . 0.0 108.404 178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -57.9 -29.55 65.18 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 124.608 1.163 . . . . 0.0 111.745 179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -78.53 -38.96 39.3 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.448 0.699 . . . . 0.0 109.402 177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -44.21 81.18 Favored 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -178.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -54.16 -50.44 66.98 Favored 'General case' 0 C--O 1.223 -0.307 0 O-C-N 123.627 0.579 . . . . 0.0 111.639 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -66.8 -30.69 70.96 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 123.56 0.744 . . . . 0.0 110.73 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -62.45 1.85 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -69.79 -29.47 66.79 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 118.966 -1.094 . . . . 0.0 111.045 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 C-N-CA 129.266 3.026 . . . . 0.0 110.196 -178.985 . . . . . . . . 0 0 . 1 stop_ save_